smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2coc3cc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)ccc3c2=O)cc1 ZINC000000622260 557121387 /nfs/dbraw/zinc/12/13/87/557121387.db2.gz MGJLSBDCWOSMHL-OCVXTVMPSA-N 0 0 430.409 0.647 50 0 endogenous,in-man ICAARN Cc1ccccc1OC[C@H](O)Cn1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000625778 555512586 /nfs/dbraw/zinc/51/25/86/555512586.db2.gz IZFBLTNVUHFRRT-OAHLLOKOSA-N 0 0 429.477 0.019 50 0 ICAARN Cc1ccccc1OC[C@@H](O)Cn1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000625781 555512603 /nfs/dbraw/zinc/51/26/03/555512603.db2.gz IZFBLTNVUHFRRT-HNNXBMFYSA-N 0 0 429.477 0.019 50 0 ICAARN Cn1c2nc(N3CCOCC3)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000000625892 555512608 /nfs/dbraw/zinc/51/26/08/555512608.db2.gz UKBNRGPOWUUMPH-CYBMUJFWSA-N 0 0 435.868 0.353 50 0 ICAARN Cn1c2nc(N3CCOCC3)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000626073 555512580 /nfs/dbraw/zinc/51/25/80/555512580.db2.gz RCRCRUVCLIADOR-AWEZNQCLSA-N 0 0 449.895 0.364 50 0 ICAARN Cn1c2nc(N3CCOCC3)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000626076 555512644 /nfs/dbraw/zinc/51/26/44/555512644.db2.gz RCRCRUVCLIADOR-CQSZACIVSA-N 0 0 449.895 0.364 50 0 ICAARN CCc1ccc(OC[C@H](O)Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000626095 555512621 /nfs/dbraw/zinc/51/26/21/555512621.db2.gz YZZWWLUZXNVFTO-MRXNPFEDSA-N 0 0 443.504 0.273 50 0 ICAARN CCc1ccc(OC[C@@H](O)Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000626097 555512635 /nfs/dbraw/zinc/51/26/35/555512635.db2.gz YZZWWLUZXNVFTO-INIZCTEOSA-N 0 0 443.504 0.273 50 0 ICAARN COc1ccc(OC[C@@H](O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000629383 555514008 /nfs/dbraw/zinc/51/40/08/555514008.db2.gz WRVQHCFZEOSSFK-JTQLQIEISA-N 0 0 439.266 0.645 50 0 ICAARN COc1ccc(OC[C@H](O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000629385 193862783 /nfs/dbraw/zinc/86/27/83/193862783.db2.gz WRVQHCFZEOSSFK-SNVBAGLBSA-N 0 0 439.266 0.645 50 0 ICAARN COc1ccc(OC[C@@H](O)Cn2c3c(nc2N2CCCCC2)n(C)c(=O)n(C)c3=O)cc1 ZINC000000629932 555514208 /nfs/dbraw/zinc/51/42/08/555514208.db2.gz KYUPNYDXFGYBNB-HNNXBMFYSA-N 0 0 443.504 0.873 50 0 ICAARN COc1ccc(OC[C@H](O)Cn2c3c(nc2N2CCCCC2)n(C)c(=O)n(C)c3=O)cc1 ZINC000000629937 193863072 /nfs/dbraw/zinc/86/30/72/193863072.db2.gz KYUPNYDXFGYBNB-OAHLLOKOSA-N 0 0 443.504 0.873 50 0 ICAARN COc1ccc(OC[C@@H](O)Cn2c(N3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000629981 193863060 /nfs/dbraw/zinc/86/30/60/193863060.db2.gz ONAGLIBEJLGDFR-AWEZNQCLSA-N 0 0 429.477 0.482 50 0 ICAARN COc1ccc(OC[C@H](O)Cn2c(N3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000629985 555514249 /nfs/dbraw/zinc/51/42/49/555514249.db2.gz ONAGLIBEJLGDFR-CQSZACIVSA-N 0 0 429.477 0.482 50 0 ICAARN C[C@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000000632672 555515509 /nfs/dbraw/zinc/51/55/09/555515509.db2.gz GEKJYMLRSYBGGN-CMPLNLGQSA-N 0 0 440.909 0.990 50 0 ICAARN C[C@@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000000632675 555515514 /nfs/dbraw/zinc/51/55/14/555515514.db2.gz GEKJYMLRSYBGGN-ZYHUDNBSSA-N 0 0 440.909 0.990 50 0 ICAARN CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Br)c2)CC1 ZINC000000633263 555515756 /nfs/dbraw/zinc/51/57/56/555515756.db2.gz KVMNMAKOKQYNND-UHFFFAOYSA-N 0 0 433.310 0.986 50 0 ICAARN Cn1c2nc(N3CCC(C(N)=O)CC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000000634462 193865308 /nfs/dbraw/zinc/86/53/08/193865308.db2.gz YCIYTGAQMAUVQM-UHFFFAOYSA-N 0 0 430.896 0.837 50 0 ICAARN COc1ccc(OC[C@@H](O)Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000636568 555516928 /nfs/dbraw/zinc/51/69/28/555516928.db2.gz PORNAGAEUFLJES-VIFPVBQESA-N 0 0 425.239 0.634 50 0 ICAARN COc1ccc(OC[C@H](O)Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000636571 555516966 /nfs/dbraw/zinc/51/69/66/555516966.db2.gz PORNAGAEUFLJES-SECBINFHSA-N 0 0 425.239 0.634 50 0 ICAARN COc1ccc(OC[C@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000636575 555517019 /nfs/dbraw/zinc/51/70/19/555517019.db2.gz KTNUYWKLBMVQEK-CQSZACIVSA-N 0 0 429.477 0.862 50 0 ICAARN CN(CCO)S(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)N(C)CCO)ccc1-2 ZINC000000644063 555519760 /nfs/dbraw/zinc/51/97/60/555519760.db2.gz UYVUOCXQPUMUQT-UHFFFAOYSA-N 0 0 440.543 0.483 50 0 ICAARN Cn1c2nc(SCC(=O)N3CCOCC3)n(Cc3cccc(F)c3)c2c(=O)n(C)c1=O ZINC000000666989 557132192 /nfs/dbraw/zinc/13/21/92/557132192.db2.gz HORXCLMYBMMDKF-UHFFFAOYSA-N 0 0 447.492 0.572 50 0 ICAARN Cn1c(Sc2ncnn2CC(=O)NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000679520 555536835 /nfs/dbraw/zinc/53/68/35/555536835.db2.gz AQUWOYGMKIVQGG-UHFFFAOYSA-N 0 0 432.510 0.162 50 0 biogenic ICAARN CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000000687875 555541001 /nfs/dbraw/zinc/54/10/01/555541001.db2.gz PNKDQJPHVSCJJZ-UHFFFAOYSA-N 0 0 429.495 0.625 50 0 ICAARN COc1ccc(C(=O)Cn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000718642 557148881 /nfs/dbraw/zinc/14/88/81/557148881.db2.gz BCHIYVHPMGMLET-UHFFFAOYSA-N 0 0 426.477 0.077 50 0 ICAARN CCOc1ccc(CCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000000719745 520951361 /nfs/dbraw/zinc/95/13/61/520951361.db2.gz PMJBQXCZSCCBPB-UHFFFAOYSA-N 0 0 429.477 0.590 50 0 biogenic ICAARN COc1ccc(OC[C@@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000725726 555551290 /nfs/dbraw/zinc/55/12/90/555551290.db2.gz KTNUYWKLBMVQEK-AWEZNQCLSA-N 0 0 429.477 0.862 50 0 ICAARN CN(C)c1nc(Oc2ccc(Oc3nc(N(C)C)nc(N(C)C)n3)nn2)nc(N(C)C)n1 ZINC000000779445 557174775 /nfs/dbraw/zinc/17/47/75/557174775.db2.gz FOZPNZOYHAKYSE-UHFFFAOYSA-N 0 0 442.488 0.695 50 0 ICAARN CN(CCOC(=O)CN1C(=O)c2ccccc2C1=O)C1=NS(=O)(=O)c2ccccc21 ZINC000000780280 557175719 /nfs/dbraw/zinc/17/57/19/557175719.db2.gz ZFIWQKNNNQTJDH-UHFFFAOYSA-N 0 0 427.438 0.907 50 0 ICAARN Cn1c2ncn(CC(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2c(=O)n(C)c1=O ZINC000000789914 555556694 /nfs/dbraw/zinc/55/66/94/555556694.db2.gz RYSMSGAHMZMOIK-UHFFFAOYSA-N 0 0 448.505 0.149 50 0 ICAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000000810271 555560633 /nfs/dbraw/zinc/56/06/33/555560633.db2.gz JOCBJKQODFXGSE-UHFFFAOYSA-N 0 0 429.454 0.942 50 0 ICAARN CCc1ccc(OC[C@H](O)Cn2c(N3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000824788 555564780 /nfs/dbraw/zinc/56/47/80/555564780.db2.gz ZDVVIWNEIQGDEQ-OAHLLOKOSA-N 0 0 429.477 0.262 50 0 ICAARN CCc1ccc(OC[C@@H](O)Cn2c(N3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000824789 555564799 /nfs/dbraw/zinc/56/47/99/555564799.db2.gz ZDVVIWNEIQGDEQ-HNNXBMFYSA-N 0 0 429.477 0.262 50 0 ICAARN Cn1c2nc(Br)n(Cc3ccccc3Cl)c2c(=O)n(CC(N)=O)c1=O ZINC000000828015 557271135 /nfs/dbraw/zinc/27/11/35/557271135.db2.gz CFJIEQLUIKDUCX-UHFFFAOYSA-N 0 0 426.658 0.846 50 0 ICAARN Cn1c2nc(N3CCOCC3)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000000828754 555565951 /nfs/dbraw/zinc/56/59/51/555565951.db2.gz UKBNRGPOWUUMPH-ZDUSSCGKSA-N 0 0 435.868 0.353 50 0 ICAARN C[C@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000000829834 555566044 /nfs/dbraw/zinc/56/60/44/555566044.db2.gz GEKJYMLRSYBGGN-JQWIXIFHSA-N 0 0 440.909 0.990 50 0 ICAARN C[C@@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000000829835 555566080 /nfs/dbraw/zinc/56/60/80/555566080.db2.gz GEKJYMLRSYBGGN-PWSUYJOCSA-N 0 0 440.909 0.990 50 0 ICAARN CS(=O)(=O)N(CCN1C(=O)c2ccccc2C1=O)CCN1C(=O)c2ccccc2C1=O ZINC000000842142 557796476 /nfs/dbraw/zinc/79/64/76/557796476.db2.gz HGDZQGVKCHOISX-UHFFFAOYSA-N 0 0 441.465 0.840 50 0 ICAARN Cn1c2ncn(CC(=O)Nc3ccc(I)cc3)c2c(=O)n(C)c1=O ZINC000000851770 555570815 /nfs/dbraw/zinc/57/08/15/555570815.db2.gz ZZXXBQISAUBYDA-UHFFFAOYSA-N 0 0 439.213 0.677 50 0 biogenic ICAARN Cn1c2ncn(CC(=O)Nc3ccccc3I)c2c(=O)n(C)c1=O ZINC000000851794 555570752 /nfs/dbraw/zinc/57/07/52/555570752.db2.gz LDDIODSVEBGVGY-UHFFFAOYSA-N 0 0 439.213 0.677 50 0 ICAARN CCOC(=O)N1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1 ZINC000000877021 555576511 /nfs/dbraw/zinc/57/65/11/555576511.db2.gz ZURPZMUVOKRQCQ-UHFFFAOYSA-N 0 0 429.495 0.771 50 0 ICAARN CCOC(=O)N1CCN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)CC1 ZINC000000886861 557855734 /nfs/dbraw/zinc/85/57/34/557855734.db2.gz IXSFZRBZSXVBNZ-UHFFFAOYSA-N 0 0 429.495 0.771 50 0 ICAARN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000000936833 555585965 /nfs/dbraw/zinc/58/59/65/555585965.db2.gz MYFDXDLRLMHJAN-LJQANCHMSA-N 0 0 443.460 0.986 50 0 ICAARN COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000000936834 555585938 /nfs/dbraw/zinc/58/59/38/555585938.db2.gz MYFDXDLRLMHJAN-IBGZPJMESA-N 0 0 443.460 0.986 50 0 ICAARN COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(N2CCOCC2)cc1 ZINC000000951732 132236155 /nfs/dbraw/zinc/23/61/55/132236155.db2.gz JZCHYBKBNGIEGJ-QGZVFWFLSA-N 0 0 426.473 0.925 50 0 ICAARN COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(N2CCOCC2)cc1 ZINC000000951733 132236177 /nfs/dbraw/zinc/23/61/77/132236177.db2.gz JZCHYBKBNGIEGJ-KRWDZBQOSA-N 0 0 426.473 0.925 50 0 ICAARN Cc1nn(-c2cc(N(S(C)(=O)=O)S(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C ZINC000000988346 562919877 /nfs/dbraw/zinc/91/98/77/562919877.db2.gz OAMUJWBTWJPKBT-UHFFFAOYSA-N 0 0 429.307 0.912 50 0 ICAARN CCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@]12c1ccccc1N(C)C2=O ZINC000000989175 555595365 /nfs/dbraw/zinc/59/53/65/555595365.db2.gz QPPLWMHMUZXPRR-OAQYLSRUSA-N 0 0 430.413 0.655 50 0 ICAARN CCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@@]12c1ccccc1N(C)C2=O ZINC000000989176 555595663 /nfs/dbraw/zinc/59/56/63/555595663.db2.gz QPPLWMHMUZXPRR-NRFANRHFSA-N 0 0 430.413 0.655 50 0 ICAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@]12c1ccccc1N(CC(=O)OC)C2=O ZINC000000989183 555595674 /nfs/dbraw/zinc/59/56/74/555595674.db2.gz SJFASBZKZUCQGX-OAQYLSRUSA-N 0 0 430.413 0.655 50 0 ICAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@@]12c1ccccc1N(CC(=O)OC)C2=O ZINC000000989184 555595692 /nfs/dbraw/zinc/59/56/92/555595692.db2.gz SJFASBZKZUCQGX-NRFANRHFSA-N 0 0 430.413 0.655 50 0 ICAARN CCOC(=O)C1=C(C)N(CC(=O)OC)C(=O)[C@]12c1ccccc1OC(N)=C2C(=O)OCC ZINC000001050962 569176411 /nfs/dbraw/zinc/17/64/11/569176411.db2.gz LJYBFLKXUNEXKP-JOCHJYFZSA-N 0 0 444.440 0.903 50 0 ICAARN CCOC(=O)C1=C(C)N(CC(=O)OC)C(=O)[C@@]12c1ccccc1OC(N)=C2C(=O)OCC ZINC000001050963 569176442 /nfs/dbraw/zinc/17/64/42/569176442.db2.gz LJYBFLKXUNEXKP-QFIPXVFZSA-N 0 0 444.440 0.903 50 0 ICAARN CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)N1)c1ccccc1OC(N)=C2C(=O)OC ZINC000001051052 562920158 /nfs/dbraw/zinc/92/01/58/562920158.db2.gz AFMWWXJBFCYYSF-NRFANRHFSA-N 0 0 430.413 0.560 50 0 ICAARN CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)N1)c1ccccc1OC(N)=C2C(=O)OC ZINC000001051054 562920167 /nfs/dbraw/zinc/92/01/67/562920167.db2.gz AFMWWXJBFCYYSF-OAQYLSRUSA-N 0 0 430.413 0.560 50 0 ICAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000001057106 555614823 /nfs/dbraw/zinc/61/48/23/555614823.db2.gz NWYAQZXPBDSTBR-GOSISDBHSA-N 0 0 435.502 0.899 50 0 ICAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000001057112 555614838 /nfs/dbraw/zinc/61/48/38/555614838.db2.gz NWYAQZXPBDSTBR-SFHVURJKSA-N 0 0 435.502 0.899 50 0 ICAARN Cn1c2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2n(C)c1=O ZINC000001070511 527104140 /nfs/dbraw/zinc/10/41/40/527104140.db2.gz QXUOLRNZPNXGDH-UHFFFAOYSA-N 0 0 426.481 0.479 50 0 ICAARN Cn1c(Sc2ncnn2CC(=O)Nc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000001073542 555622534 /nfs/dbraw/zinc/62/25/34/555622534.db2.gz PSOGKWKSFSBXEW-UHFFFAOYSA-N 0 0 444.452 0.491 50 0 biogenic ICAARN Cc1ccc(Cn2c(SCC(=O)N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000001080859 555625969 /nfs/dbraw/zinc/62/59/69/555625969.db2.gz SRQZCJBMKVMVJF-UHFFFAOYSA-N 0 0 443.529 0.741 50 0 ICAARN COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1 ZINC000001081322 291314156 /nfs/dbraw/zinc/31/41/56/291314156.db2.gz MGJLSBDCWOSMHL-MIUGBVLSSA-N 0 0 430.409 0.647 50 0 biogenic,in-vitro ICAARN CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2c1c(=O)n(C)c(=O)n2C ZINC000001083200 555626237 /nfs/dbraw/zinc/62/62/37/555626237.db2.gz XZPSMUGHMYVBIW-UHFFFAOYSA-N 0 0 431.474 0.971 50 0 biogenic ICAARN O=C(Cn1c(=O)n(-c2ccccc2)c(=O)n1CC(=O)N1CCCCC1)N1CCCCC1 ZINC000001102279 555629043 /nfs/dbraw/zinc/62/90/43/555629043.db2.gz LBQCUXUTTHIVQP-UHFFFAOYSA-N 0 0 427.505 0.826 50 0 ICAARN Cn1c2ncn(CC(=O)Nc3nnc(CCc4ccccc4)s3)c2c(=O)n(C)c1=O ZINC000001114671 555633651 /nfs/dbraw/zinc/63/36/51/555633651.db2.gz CJNCYGPKHPECTP-UHFFFAOYSA-N 0 0 425.474 0.709 50 0 ICAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000001131092 555644490 /nfs/dbraw/zinc/64/44/90/555644490.db2.gz HLNATPUAESSDAU-UHFFFAOYSA-N 0 0 448.505 0.103 50 0 ICAARN CCN(CC)C(=O)Cn1c(=O)n(Cc2ccccc2Cl)c2c1c(=O)n(C)c(=O)n2C ZINC000001134693 555646667 /nfs/dbraw/zinc/64/66/67/555646667.db2.gz UJAYQRIRBSVBTF-UHFFFAOYSA-N 0 0 433.896 0.771 50 0 ICAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001139730 555649095 /nfs/dbraw/zinc/64/90/95/555649095.db2.gz BRBRZWDOGVIWBW-UHFFFAOYSA-N 0 0 429.454 0.942 50 0 ICAARN CCOC(=O)N1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 ZINC000001140592 555649759 /nfs/dbraw/zinc/64/97/59/555649759.db2.gz HYAIRUANYZDWGQ-UHFFFAOYSA-N 0 0 427.479 0.525 50 0 ICAARN O=c1c2cc3c(cc2c(=O)n1CCCn1ccnc1)c(=O)n(CCCn1ccnc1)c3=O ZINC000001144598 555652393 /nfs/dbraw/zinc/65/23/93/555652393.db2.gz PXNADUDXUQLPJY-UHFFFAOYSA-N 0 0 432.440 0.486 50 0 ICAARN CCn1cc(C(=O)NCCN2CCOCC2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000001248325 132240677 /nfs/dbraw/zinc/24/06/77/132240677.db2.gz BGQRICSQKNMKGO-UHFFFAOYSA-N 0 0 445.539 0.974 50 0 ICAARN Cc1cc(C)nc(SCCn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000001256235 568775245 /nfs/dbraw/zinc/77/52/45/568775245.db2.gz CGLNPFCMEFEJCF-UHFFFAOYSA-N 0 0 431.522 0.469 50 0 ICAARN COc1ccccc1C1=NO[C@@H](Cn2c(N(C)CCO)nc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000001273753 568775840 /nfs/dbraw/zinc/77/58/40/568775840.db2.gz ZDPQSMPZLHZIPO-CYBMUJFWSA-N 0 0 442.476 0.064 50 0 ICAARN COc1ccccc1C1=NO[C@H](Cn2c(N(C)CCO)nc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000001273754 568775820 /nfs/dbraw/zinc/77/58/20/568775820.db2.gz ZDPQSMPZLHZIPO-ZDUSSCGKSA-N 0 0 442.476 0.064 50 0 ICAARN Cn1c2nc(N3CCCC3)n(CCSc3nnnn3-c3ccccc3)c2c(=O)[nH]c1=O ZINC000001279657 568776002 /nfs/dbraw/zinc/77/60/02/568776002.db2.gz XDNXMGCQUHILLR-UHFFFAOYSA-N 0 0 439.505 0.792 50 0 ICAARN Cn1c2nc(Br)n(CCSc3nnnn3-c3ccccc3)c2c(=O)[nH]c1=O ZINC000001301142 562921107 /nfs/dbraw/zinc/92/11/07/562921107.db2.gz WXLVSTYTWXLHIA-UHFFFAOYSA-N 0 0 449.294 0.954 50 0 ICAARN CN(Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN1CCOCC1)Cc1ccccc1 ZINC000001311508 555689682 /nfs/dbraw/zinc/68/96/82/555689682.db2.gz GXADJOUMPVUONN-UHFFFAOYSA-N 0 0 426.521 0.398 50 0 ICAARN CC(=O)N[C@@H]1[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000001319767 1072378758 /nfs/dbraw/zinc/37/87/58/1072378758.db2.gz SUWPNTKTZYIFQT-URXAQBOPSA-N 0 0 449.685 0.906 50 0 ICAARN CCOC(=O)CN1c2ccccc2[C@@]2(C1=O)C(C(=O)OC)=C(C)OC(N)=C2C(=O)OC ZINC000001321810 568780093 /nfs/dbraw/zinc/78/00/93/568780093.db2.gz LISFLLKRORPXDA-OAQYLSRUSA-N 0 0 430.413 0.655 50 0 biogenic ICAARN CCOC(=O)CN1c2ccccc2[C@]2(C1=O)C(C(=O)OC)=C(C)OC(N)=C2C(=O)OC ZINC000001321811 568780039 /nfs/dbraw/zinc/78/00/39/568780039.db2.gz LISFLLKRORPXDA-NRFANRHFSA-N 0 0 430.413 0.655 50 0 biogenic ICAARN Cn1c2nc(SCC(=O)N3CCOCC3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000001423933 555695655 /nfs/dbraw/zinc/69/56/55/555695655.db2.gz JOVOMBZAQWPZRW-UHFFFAOYSA-N 0 0 447.492 0.572 50 0 ICAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1 ZINC000001425580 562921788 /nfs/dbraw/zinc/92/17/88/562921788.db2.gz RHKVCOICJCIUHE-UHFFFAOYSA-N 0 0 430.552 0.682 50 0 ICAARN COc1ccc(C(=O)Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000001440745 555697686 /nfs/dbraw/zinc/69/76/86/555697686.db2.gz UFTUWRRKKYFJEE-UHFFFAOYSA-N 0 0 443.460 0.170 50 0 ICAARN O=c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)nn1-c1ccccc1 ZINC000001443806 132245378 /nfs/dbraw/zinc/24/53/78/132245378.db2.gz ISKUTHFAFHMTEC-UHFFFAOYSA-N 0 0 437.460 0.883 50 0 ICAARN O=S(=O)(c1cccc2c1cccc2S(=O)(=O)N1CCOCC1)N1CCOCC1 ZINC000001505544 555702199 /nfs/dbraw/zinc/70/21/99/555702199.db2.gz JDUWQNPFJGRQON-UHFFFAOYSA-N 0 0 426.516 0.882 50 0 ICAARN COCCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@]12c1ccccc1NC2=O ZINC000001784246 555714889 /nfs/dbraw/zinc/71/48/89/555714889.db2.gz LFOXYGOHYUCZKB-OAQYLSRUSA-N 0 0 446.412 0.257 50 0 ICAARN COCCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@@]12c1ccccc1NC2=O ZINC000001784247 555715253 /nfs/dbraw/zinc/71/52/53/555715253.db2.gz LFOXYGOHYUCZKB-NRFANRHFSA-N 0 0 446.412 0.257 50 0 ICAARN C[C@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1nccs1 ZINC000001830841 568915946 /nfs/dbraw/zinc/91/59/46/568915946.db2.gz DILXHGWWMIOHCN-NRWJCBQCSA-N 0 0 427.479 0.983 50 0 biogenic ICAARN C[C@@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1nccs1 ZINC000001830842 568915993 /nfs/dbraw/zinc/91/59/93/568915993.db2.gz DILXHGWWMIOHCN-OZQKWHQZSA-N 0 0 427.479 0.983 50 0 biogenic ICAARN C[C@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1nccs1 ZINC000001830843 568916038 /nfs/dbraw/zinc/91/60/38/568916038.db2.gz DILXHGWWMIOHCN-OSBCOHAKSA-N 0 0 427.479 0.983 50 0 biogenic ICAARN C[C@@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1nccs1 ZINC000001830844 568915989 /nfs/dbraw/zinc/91/59/89/568915989.db2.gz DILXHGWWMIOHCN-AOLPELCWSA-N 0 0 427.479 0.983 50 0 biogenic ICAARN Cn1c2nc(SCC(N)=O)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000002055843 568940963 /nfs/dbraw/zinc/94/09/63/568940963.db2.gz ZXESKNOSJXNHPP-JTQLQIEISA-N 0 0 439.881 0.094 50 0 ICAARN Cn1c2nc(SCC(N)=O)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000002055844 568941001 /nfs/dbraw/zinc/94/10/01/568941001.db2.gz ZXESKNOSJXNHPP-SNVBAGLBSA-N 0 0 439.881 0.094 50 0 ICAARN COc1cc(=O)c2c(O)c(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc-2c1 ZINC000002065942 568941573 /nfs/dbraw/zinc/94/15/73/568941573.db2.gz OFUWGCQDMVDLIR-SSCXBUAASA-N 0 0 446.408 0.353 50 0 endogenous,in-man ICAARN NC(=[NH2+])NCCC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002091879 569178673 /nfs/dbraw/zinc/17/86/73/569178673.db2.gz GYCOYSMHIRLZTG-INIZCTEOSA-N 0 0 430.461 0.883 50 0 biogenic ICAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000002094236 569179073 /nfs/dbraw/zinc/17/90/73/569179073.db2.gz PFAKDUZAVJIMCH-QAMHXRKUSA-N 0 0 438.458 0.167 50 0 ICAARN O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(SCC(=O)N2CCOCC2)s1 ZINC000002124174 555745646 /nfs/dbraw/zinc/74/56/46/555745646.db2.gz QVBIFBASPDPSDP-UHFFFAOYSA-N 0 0 446.514 0.838 50 0 ICAARN NS(=O)(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002131881 555746494 /nfs/dbraw/zinc/74/64/94/555746494.db2.gz SRVHJZPQFUCYSZ-UHFFFAOYSA-N 0 0 440.503 0.729 50 0 ICAARN O=C(CNC(=O)OCc1ccccc1)NCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002139758 569185349 /nfs/dbraw/zinc/18/53/49/569185349.db2.gz NHLSAYPMYLLLFX-MSOLQXFVSA-N 0 0 438.484 0.837 50 0 biogenic ICAARN CC1(C)O[C@H]2O[C@@H](C(=O)NCCC(=O)Nc3nccs3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000002140549 569186587 /nfs/dbraw/zinc/18/65/87/569186587.db2.gz QBKNZJCSBINFFI-WPLOAARJSA-N 0 0 427.479 0.984 50 0 ICAARN O=C(c1ccc2c(c1)C(=O)N(CCCO)C2=O)c1ccc2c(c1)C(=O)N(CCCO)C2=O ZINC000002154267 555750198 /nfs/dbraw/zinc/75/01/98/555750198.db2.gz OGGCVZLDKRQKTO-UHFFFAOYSA-N 0 0 436.420 0.874 50 0 ICAARN COC(=O)c1ccc(-n2nnnc2SCc2nc(N)nc(N3CCOCC3)n2)cc1 ZINC000002190755 536598693 /nfs/dbraw/zinc/59/86/93/536598693.db2.gz KHHHQIUOISQEBU-UHFFFAOYSA-N 0 0 429.466 0.345 50 0 ICAARN CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@@]12c1ccccc1N(CC(=O)OC)C2=O ZINC000002195674 569191380 /nfs/dbraw/zinc/19/13/80/569191380.db2.gz VWXJAAXLICPLKR-OAQYLSRUSA-N 0 0 430.413 0.655 50 0 ICAARN Cn1c2nc(CN3CCC(C(N)=O)CC3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000002201160 562926308 /nfs/dbraw/zinc/92/63/08/562926308.db2.gz XYMXFWACOPWRFP-UHFFFAOYSA-N 0 0 438.532 0.764 50 0 ICAARN Cc1nnc(SCCn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000002204007 555757487 /nfs/dbraw/zinc/75/74/87/555757487.db2.gz DPNGBYWOUWYEBH-UHFFFAOYSA-N 0 0 436.567 0.138 50 0 ICAARN CCOC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccco1 ZINC000002207848 520547740 /nfs/dbraw/zinc/54/77/40/520547740.db2.gz XSTOEXWWXLJYTB-QLKUMGTLSA-N 0 0 442.449 0.736 50 0 ICAARN CCOC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccco1 ZINC000002207852 569193838 /nfs/dbraw/zinc/19/38/38/569193838.db2.gz XSTOEXWWXLJYTB-ZVHGMHCTSA-N 0 0 442.449 0.736 50 0 ICAARN Cn1c2nc(CN3CCC(C(N)=O)CC3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000002212431 562926338 /nfs/dbraw/zinc/92/63/38/562926338.db2.gz ALQDAGWCEIOMDA-UHFFFAOYSA-N 0 0 428.468 0.318 50 0 ICAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccccc3)sc2=C(C(N)=O)[C@H]1c1ccccc1 ZINC000002216697 569203593 /nfs/dbraw/zinc/20/35/93/569203593.db2.gz YZOULDCEECZEST-NOCRFKNCSA-N 0 0 447.516 0.862 50 0 ICAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccccc3)sc2=C(C(N)=O)[C@@H]1c1ccccc1 ZINC000002216701 569203591 /nfs/dbraw/zinc/20/35/91/569203591.db2.gz YZOULDCEECZEST-VZVUQDNOSA-N 0 0 447.516 0.862 50 0 ICAARN CCc1ccc(OC[C@H](O)Cn2c(SCC(N)=O)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000002217296 555758954 /nfs/dbraw/zinc/75/89/54/555758954.db2.gz YHYOYCWBKHGMQS-GFCCVEGCSA-N 0 0 433.490 0.003 50 0 ICAARN CCc1ccc(OC[C@@H](O)Cn2c(SCC(N)=O)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000002217298 555759035 /nfs/dbraw/zinc/75/90/35/555759035.db2.gz YHYOYCWBKHGMQS-LBPRGKRZSA-N 0 0 433.490 0.003 50 0 ICAARN CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@]12c1ccccc1N(CC(N)=O)C2=O ZINC000002231911 569210715 /nfs/dbraw/zinc/21/07/15/569210715.db2.gz OEVRZIFBORDABJ-OAQYLSRUSA-N 0 0 429.429 0.357 50 0 ICAARN COC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccco1 ZINC000002248490 569214740 /nfs/dbraw/zinc/21/47/40/569214740.db2.gz XCQOKGLPCKOGQQ-KIWPFMIBSA-N 0 0 428.422 0.346 50 0 ICAARN COC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccco1 ZINC000002248492 569214704 /nfs/dbraw/zinc/21/47/04/569214704.db2.gz 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NC(=O)CSc1nnc2n1-c1nnc(SCC(N)=O)n1-c1sc3c(c1-2)CCC3 ZINC000002348293 569282021 /nfs/dbraw/zinc/28/20/21/569282021.db2.gz GSRAGGIWRGNKPS-UHFFFAOYSA-N 0 0 434.532 0.533 50 0 ICAARN Cn1c2nc(CN3CCC(C(N)=O)CC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000002359914 562927125 /nfs/dbraw/zinc/92/71/25/562927125.db2.gz GPXDPLLLCRTYGX-UHFFFAOYSA-N 0 0 444.923 0.833 50 0 ICAARN Cn1c2nc(SCCO)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000002373214 555773266 /nfs/dbraw/zinc/77/32/66/555773266.db2.gz FWQMDOSXYJXLOZ-NSHDSACASA-N 0 0 426.882 0.601 50 0 ICAARN Cn1c2nc(SCCO)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000002373215 555773313 /nfs/dbraw/zinc/77/33/13/555773313.db2.gz FWQMDOSXYJXLOZ-LLVKDONJSA-N 0 0 426.882 0.601 50 0 ICAARN O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000002422873 569302261 /nfs/dbraw/zinc/30/22/61/569302261.db2.gz KGXFRCNZHFTOIV-UHFFFAOYSA-N 0 0 433.309 0.741 50 0 ICAARN CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)cc1 ZINC000002469183 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/nfs/dbraw/zinc/47/43/49/569474349.db2.gz KOGJTKKRHBGYHM-WZYWGQKZSA-N 0 0 428.463 0.669 50 0 biogenic ICAARN COc1ccc2[nH]cc(CCNC(=O)C[C@@H]3C(=O)Nc4c3c(=O)n(C)c(=O)n4C)c2c1 ZINC000008764885 569474697 /nfs/dbraw/zinc/47/46/97/569474697.db2.gz YFONQKRGDFFJNL-AWEZNQCLSA-N 0 0 425.445 0.359 50 0 biogenic ICAARN Nc1nnc(SCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000008767909 569474959 /nfs/dbraw/zinc/47/49/59/569474959.db2.gz IZSAVQDHQRIREP-UHFFFAOYSA-N 0 0 429.549 0.550 50 0 ICAARN CS(=O)(=O)N1CCN(C(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000008767978 569474937 /nfs/dbraw/zinc/47/49/37/569474937.db2.gz QYDHKAUCPQMGBK-UHFFFAOYSA-N 0 0 449.499 0.716 50 0 ICAARN NC(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3ccncc3)s2)cc1 ZINC000008770598 569475116 /nfs/dbraw/zinc/47/51/16/569475116.db2.gz IRUIIZDUQSZWBG-NMWGTECJSA-N 0 0 438.469 0.641 50 0 ICAARN O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000008771101 569475165 /nfs/dbraw/zinc/47/51/65/569475165.db2.gz NOSVMMXDOBRZRS-UHFFFAOYSA-N 0 0 427.548 0.714 50 0 ICAARN CCCCn1c(N)c(N(C)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(=O)[nH]c1=O ZINC000008772252 556846195 /nfs/dbraw/zinc/84/61/95/556846195.db2.gz UTLQVLXXWOXDMF-UHFFFAOYSA-N 0 0 449.533 0.980 50 0 ICAARN CCCCn1c(N)c(N(C)C(=O)CCn2cnc3c(C)cccc3c2=O)c(=O)[nH]c1=O ZINC000008772604 569475312 /nfs/dbraw/zinc/47/53/12/569475312.db2.gz ZRDUJXBICUNUSV-UHFFFAOYSA-N 0 0 426.477 0.990 50 0 ICAARN CC(=O)NC(=Cc1ccccc1)C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000008774004 556846142 /nfs/dbraw/zinc/84/61/42/556846142.db2.gz UDCRDQZHIFWOIA-YBEGLDIGSA-N 0 0 442.472 0.688 50 0 ICAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)C2CCCCC2)cc1 ZINC000008774300 562964046 /nfs/dbraw/zinc/96/40/46/562964046.db2.gz FFCNIIMALVFATJ-UHFFFAOYSA-N 0 0 439.490 0.690 50 0 ICAARN Cn1c2nc(N3CCC(C(N)=O)CC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000008775029 556214048 /nfs/dbraw/zinc/21/40/48/556214048.db2.gz UJYHWXGDSCOFRI-UHFFFAOYSA-N 0 0 430.896 0.837 50 0 ICAARN CCOC(=O)N1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1 ZINC000008775138 556213885 /nfs/dbraw/zinc/21/38/85/556213885.db2.gz ZXVDVLNNICTZNT-UHFFFAOYSA-N 0 0 426.477 0.761 50 0 ICAARN Cn1c2nc(N3CCN(c4ncccn4)CC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000008775163 132294091 /nfs/dbraw/zinc/29/40/91/132294091.db2.gz LPWXZHXXEHYOHZ-UHFFFAOYSA-N 0 0 432.488 0.599 50 0 ICAARN CC(=O)c1ccc(NC(=S)N2CCN(c3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CC2)cc1 ZINC000008775211 556214020 /nfs/dbraw/zinc/21/40/20/556214020.db2.gz JQPAJTWENRKHAB-UHFFFAOYSA-N 0 0 441.517 0.682 50 0 ICAARN CNC(=S)N1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1 ZINC000008775334 556213977 /nfs/dbraw/zinc/21/39/77/556213977.db2.gz UIBZTFQTXSPILQ-UHFFFAOYSA-N 0 0 427.534 0.108 50 0 ICAARN CCNC(=S)N1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1 ZINC000008775362 556213944 /nfs/dbraw/zinc/21/39/44/556213944.db2.gz LIEZNCVWAMVHHC-UHFFFAOYSA-N 0 0 441.561 0.498 50 0 ICAARN C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O ZINC000008776201 569475322 /nfs/dbraw/zinc/47/53/22/569475322.db2.gz DFESWNFXIHSDBU-NRFANRHFSA-N 0 0 449.427 0.474 50 0 ICAARN C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O ZINC000008776204 569475356 /nfs/dbraw/zinc/47/53/56/569475356.db2.gz DFESWNFXIHSDBU-OAQYLSRUSA-N 0 0 449.427 0.474 50 0 ICAARN Cn1c2ncn(CCCC(=O)OCCCn3c(=O)[nH]c4ccccc43)c2c(=O)n(C)c1=O ZINC000008778602 569475508 /nfs/dbraw/zinc/47/55/08/569475508.db2.gz SXXZGVDDTPGJRI-UHFFFAOYSA-N 0 0 440.460 0.490 50 0 ICAARN CCS(=O)(=O)N1CCc2cc(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc21 ZINC000008778868 569475513 /nfs/dbraw/zinc/47/55/13/569475513.db2.gz OYCSHOCWYIKMRE-UHFFFAOYSA-N 0 0 431.474 0.029 50 0 ICAARN CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cn(C)nc3C(=O)NC)C2)c(C)n1 ZINC000008782620 569475810 /nfs/dbraw/zinc/47/58/10/569475810.db2.gz OAXVDHLZDNXZBT-CYBMUJFWSA-N 0 0 437.526 0.344 50 0 ICAARN CCn1cc(C(=O)NCCC(=O)NCCc2c[nH]cn2)c(=O)c2cc3c(cc21)OCO3 ZINC000008791945 569476339 /nfs/dbraw/zinc/47/63/39/569476339.db2.gz JTMLUQHQACGLLU-UHFFFAOYSA-N 0 0 425.445 0.952 50 0 biogenic ICAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)N1CCOCC1 ZINC000008811430 132294671 /nfs/dbraw/zinc/29/46/71/132294671.db2.gz MLABUWBJPDRFIE-UHFFFAOYSA-N 0 0 441.531 0.005 50 0 ICAARN Cn1c(N)c(C(=O)COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(=O)n(C)c1=O ZINC000008824190 569477180 /nfs/dbraw/zinc/47/71/80/569477180.db2.gz XCJAOHPKBQQRDX-UHFFFAOYSA-N 0 0 446.435 0.084 50 0 ICAARN Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)ccc1=O ZINC000008824544 569477201 /nfs/dbraw/zinc/47/72/01/569477201.db2.gz MOGFRTVSSOYSQO-UHFFFAOYSA-N 0 0 434.474 0.088 50 0 ICAARN CNC(=O)NC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O ZINC000008824678 569477227 /nfs/dbraw/zinc/47/72/27/569477227.db2.gz NBCDXNFGRUJSDV-UHFFFAOYSA-N 0 0 426.477 0.910 50 0 ICAARN C[C@H](NC(=O)COc1ccccc1)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008824906 569477230 /nfs/dbraw/zinc/47/72/30/569477230.db2.gz SEQAMXFCWKCSNK-ZDUSSCGKSA-N 0 0 435.458 0.399 50 0 ICAARN C[C@@H](NC(=O)COc1ccccc1)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008824907 569477274 /nfs/dbraw/zinc/47/72/74/569477274.db2.gz SEQAMXFCWKCSNK-CYBMUJFWSA-N 0 0 435.458 0.399 50 0 ICAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 ZINC000008824958 569477277 /nfs/dbraw/zinc/47/72/77/569477277.db2.gz AWUBZYIWIWKBDU-UHFFFAOYSA-N 0 0 444.469 0.898 50 0 ICAARN CCOC(=O)c1cnc(SCC(=O)OCC(=O)NC(=O)Cc2ccccc2)nc1N ZINC000008824981 569477308 /nfs/dbraw/zinc/47/73/08/569477308.db2.gz LAXYPJMLXWLRBH-UHFFFAOYSA-N 0 0 432.458 0.756 50 0 ICAARN COCCN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000008825240 569477333 /nfs/dbraw/zinc/47/73/33/569477333.db2.gz YYYLBYVSFKPFCQ-UHFFFAOYSA-N 0 0 427.461 0.410 50 0 ICAARN CN(C(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 ZINC000008825676 562964458 /nfs/dbraw/zinc/96/44/58/562964458.db2.gz BHNVXTHJXVTTAJ-UHFFFAOYSA-N 0 0 431.474 0.544 50 0 ICAARN Cn1c2ncn(CC(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)c2c(=O)n(C)c1=O ZINC000008826077 569477528 /nfs/dbraw/zinc/47/75/28/569477528.db2.gz ZHXKORAHDXJGCD-UHFFFAOYSA-N 0 0 430.808 0.881 50 0 ICAARN Nc1nnc(SCC(=O)NCCCCNC(=O)CSc2nnc(N)s2)s1 ZINC000008826763 569477574 /nfs/dbraw/zinc/47/75/74/569477574.db2.gz OCRAIVJPUJHCEH-UHFFFAOYSA-N 0 0 434.598 0.451 50 0 ICAARN COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000008828549 562964529 /nfs/dbraw/zinc/96/45/29/562964529.db2.gz BNFOOOUAJOEZSD-UHFFFAOYSA-N 0 0 436.490 0.634 50 0 ICAARN Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@@H]1CNC(=O)C(=O)NCc1ccco1 ZINC000008830378 562964794 /nfs/dbraw/zinc/96/47/94/562964794.db2.gz YIKOCEMBWOLHNB-QGZVFWFLSA-N 0 0 439.465 0.897 50 0 ICAARN Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@H]1CNC(=O)C(=O)NCc1ccco1 ZINC000008830379 562964796 /nfs/dbraw/zinc/96/47/96/562964796.db2.gz YIKOCEMBWOLHNB-KRWDZBQOSA-N 0 0 439.465 0.897 50 0 ICAARN CC(=O)N[C@H]1[C@H](OC2CCCCC2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008833998 562965052 /nfs/dbraw/zinc/96/50/52/562965052.db2.gz SBJACEBXNZEQNU-LASHMREHSA-N 0 0 429.466 0.992 50 0 biogenic ICAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]1OCc1ccccc1 ZINC000008834027 569477901 /nfs/dbraw/zinc/47/79/01/569477901.db2.gz IDEBBPWXWFHKBU-ONUIULTDSA-N 0 0 437.445 0.859 50 0 ICAARN CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)c2ccc(Cl)cc2)CC1 ZINC000008846457 569479088 /nfs/dbraw/zinc/47/90/88/569479088.db2.gz GZHWGVLOHMFLFZ-UHFFFAOYSA-N 0 0 430.896 0.722 50 0 biogenic ICAARN O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000008848626 569479190 /nfs/dbraw/zinc/47/91/90/569479190.db2.gz GJRVBORAKXVLSV-UHFFFAOYSA-N 0 0 432.484 0.906 50 0 ICAARN O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 ZINC000008848950 569479220 /nfs/dbraw/zinc/47/92/20/569479220.db2.gz FINDKAPUBQJYLI-UHFFFAOYSA-N 0 0 439.403 0.741 50 0 ICAARN COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc4c(c2)OCO4)c(=O)c3=O)cc1 ZINC000008849172 569479197 /nfs/dbraw/zinc/47/91/97/569479197.db2.gz HYIXRTKXNQPDIH-UHFFFAOYSA-N 0 0 437.412 0.933 50 0 ICAARN COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(C(N)=O)cc2)c(=O)c3=O)cc1 ZINC000008849234 569479253 /nfs/dbraw/zinc/47/92/53/569479253.db2.gz YYMIOXPWLNBGBG-UHFFFAOYSA-N 0 0 436.428 0.303 50 0 ICAARN CCOC(=O)N1CCN(C(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)CC1 ZINC000008849618 569479256 /nfs/dbraw/zinc/47/92/56/569479256.db2.gz BQGHKBLSTXCYAF-UHFFFAOYSA-N 0 0 442.476 0.166 50 0 ICAARN Cc1ccc(N2CCn3c2nn(CC(=O)NCc2ccc4c(c2)OCO4)c(=O)c3=O)cc1 ZINC000008849738 569479311 /nfs/dbraw/zinc/47/93/11/569479311.db2.gz ABJINELBUCEXQO-UHFFFAOYSA-N 0 0 435.440 0.910 50 0 ICAARN O=C(CN1CCCC1=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000008849930 569479315 /nfs/dbraw/zinc/47/93/15/569479315.db2.gz RLXZANLAVJCBAD-UHFFFAOYSA-N 0 0 434.452 0.747 50 0 ICAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)Nc2sccc2C(N)=O)CC1 ZINC000008851015 569479363 /nfs/dbraw/zinc/47/93/63/569479363.db2.gz SAYJUDWJNUJQQB-UHFFFAOYSA-N 0 0 441.535 0.787 50 0 ICAARN Cc1csc2nc(COC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)cc(=O)n12 ZINC000008853053 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NC(=O)CC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)C(=O)[O-] ZINC000008968624 569491854 /nfs/dbraw/zinc/49/18/54/569491854.db2.gz ZAIRHGSVUSYMJH-IRXDYDNUSA-N 0 0 430.505 0.134 50 0 biogenic ICAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]21 ZINC000008972074 569492766 /nfs/dbraw/zinc/49/27/66/569492766.db2.gz SKXPXFPKMWAWBT-BRZOGNBASA-N 0 0 432.864 0.115 50 0 ICAARN Cn1c2ncn(CC(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c2c(=O)n(C)c1=O ZINC000008972961 556237638 /nfs/dbraw/zinc/23/76/38/556237638.db2.gz YLJXXJCQKRJOPE-UHFFFAOYSA-N 0 0 448.486 0.086 50 0 ICAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000008982749 569494603 /nfs/dbraw/zinc/49/46/03/569494603.db2.gz FUAOJXXMZCIVSN-CYBMUJFWSA-N 0 0 432.520 0.162 50 0 ICAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000008982753 569494570 /nfs/dbraw/zinc/49/45/70/569494570.db2.gz FUAOJXXMZCIVSN-ZDUSSCGKSA-N 0 0 432.520 0.162 50 0 ICAARN CCCn1c(N)c(C(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)c(=O)[nH]c1=O ZINC000008988111 556854675 /nfs/dbraw/zinc/85/46/75/556854675.db2.gz HMGGHSQKHQKQHG-FQEVSTJZSA-N 0 0 444.469 0.884 50 0 ICAARN CCCn1c(N)c(C(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c(=O)[nH]c1=O ZINC000008988115 556854756 /nfs/dbraw/zinc/85/47/56/556854756.db2.gz HMGGHSQKHQKQHG-HXUWFJFHSA-N 0 0 444.469 0.884 50 0 ICAARN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000008988525 569494929 /nfs/dbraw/zinc/49/49/29/569494929.db2.gz OHUHDJSLFONJGD-NRFANRHFSA-N 0 0 440.412 0.652 50 0 ICAARN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000008988529 569494977 /nfs/dbraw/zinc/49/49/77/569494977.db2.gz OHUHDJSLFONJGD-OAQYLSRUSA-N 0 0 440.412 0.652 50 0 ICAARN O=C(CNC(=O)COc1ccccc1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000008988622 569494946 /nfs/dbraw/zinc/49/49/46/569494946.db2.gz PLKPPAXZISJLJX-UHFFFAOYSA-N 0 0 447.513 0.519 50 0 ICAARN Cc1ccc(C)c(-c2[nH]c3c(c2-c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c(=O)n3C)c1 ZINC000008991796 569495291 /nfs/dbraw/zinc/49/52/91/569495291.db2.gz RAGAJWXHAPVVSM-UHFFFAOYSA-N 0 0 436.472 0.496 50 0 ICAARN CC1=NN(CC(N)=O)c2nc3c(c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)n2C1 ZINC000008992817 569495367 /nfs/dbraw/zinc/49/53/67/569495367.db2.gz XMPYNAIYBYEYKX-UHFFFAOYSA-N 0 0 433.831 0.419 50 0 ICAARN Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cccc1-n1cnnn1 ZINC000008994012 569495463 /nfs/dbraw/zinc/49/54/63/569495463.db2.gz YSFWEKFIAGOHGV-UHFFFAOYSA-N 0 0 431.478 0.582 50 0 ICAARN CCc1cccc(OC[C@H](O)Cn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000008994238 569495497 /nfs/dbraw/zinc/49/54/97/569495497.db2.gz ZPGCBCOZNZVLML-MRXNPFEDSA-N 0 0 442.520 0.177 50 0 ICAARN CCc1cccc(OC[C@@H](O)Cn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000008994241 569495530 /nfs/dbraw/zinc/49/55/30/569495530.db2.gz ZPGCBCOZNZVLML-INIZCTEOSA-N 0 0 442.520 0.177 50 0 ICAARN Cc1ccc(/C=c2\c(=O)n(Cc3ccccc3)c3nc4c(c(=O)n(C)c(=O)n4C)n32)cc1 ZINC000008994245 569495518 /nfs/dbraw/zinc/49/55/18/569495518.db2.gz QAENBRVGRYNKFP-QGOAFFKASA-N 0 0 427.464 0.951 50 0 ICAARN NC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)cc1 ZINC000009001138 569495947 /nfs/dbraw/zinc/49/59/47/569495947.db2.gz OUHAKGLHQPLGJX-UHFFFAOYSA-N 0 0 430.424 0.739 50 0 ICAARN NC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)cc1 ZINC000009001422 569496009 /nfs/dbraw/zinc/49/60/09/569496009.db2.gz XBKGLOITVCFSDZ-UHFFFAOYSA-N 0 0 430.424 0.739 50 0 ICAARN Cc1cc(C)nc(SCCn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000009001539 569496019 /nfs/dbraw/zinc/49/60/19/569496019.db2.gz ZLOAWMVCXZBIPZ-UHFFFAOYSA-N 0 0 444.565 0.385 50 0 ICAARN NC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)cc1 ZINC000009001657 569496086 /nfs/dbraw/zinc/49/60/86/569496086.db2.gz NTGDBSFEURPUMT-UHFFFAOYSA-N 0 0 430.424 0.739 50 0 ICAARN COCCCn1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc2c1nc1c(C)cccn1c2=O ZINC000009003989 569496063 /nfs/dbraw/zinc/49/60/63/569496063.db2.gz DXJUGLZWJAYVDP-CQSZACIVSA-N 0 0 432.502 0.911 50 0 ICAARN COCCCn1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cc2c1nc1c(C)cccn1c2=O ZINC000009003990 569496038 /nfs/dbraw/zinc/49/60/38/569496038.db2.gz DXJUGLZWJAYVDP-AWEZNQCLSA-N 0 0 432.502 0.911 50 0 ICAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])CC2)cc1 ZINC000009007942 569496200 /nfs/dbraw/zinc/49/62/00/569496200.db2.gz PAAGUZZFIMOGFH-INIZCTEOSA-N 0 0 439.538 0.228 50 0 biogenic ICAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-])CC2)cc1 ZINC000009007943 569496233 /nfs/dbraw/zinc/49/62/33/569496233.db2.gz PAAGUZZFIMOGFH-MRXNPFEDSA-N 0 0 439.538 0.228 50 0 ICAARN Cc1ccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2ccc(C)cc2O)c(O)c1 ZINC000009021831 569496952 /nfs/dbraw/zinc/49/69/52/569496952.db2.gz DETJQWCKCOZGSP-UHFFFAOYSA-N 0 0 444.440 0.961 50 0 ICAARN C[C@@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)[C@@H]1C ZINC000009032814 569497171 /nfs/dbraw/zinc/49/71/71/569497171.db2.gz GNAGUJGRUYGLCD-IOASZLSFSA-N 0 0 430.461 0.884 50 0 ICAARN C[C@@H]1CCC[C@@H](NC(=O)NC(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)[C@@H]1C ZINC000009032816 569497139 /nfs/dbraw/zinc/49/71/39/569497139.db2.gz GNAGUJGRUYGLCD-XJKCOSOUSA-N 0 0 430.461 0.884 50 0 ICAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000009034089 569497200 /nfs/dbraw/zinc/49/72/00/569497200.db2.gz PFAKDUZAVJIMCH-MYFIVHGGSA-N 0 0 438.458 0.167 50 0 biogenic ICAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000009034090 569497195 /nfs/dbraw/zinc/49/71/95/569497195.db2.gz PFAKDUZAVJIMCH-GDAOTKPNSA-N 0 0 438.458 0.167 50 0 biogenic ICAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000009034091 569497234 /nfs/dbraw/zinc/49/72/34/569497234.db2.gz PFAKDUZAVJIMCH-RSNWOKGLSA-N 0 0 438.458 0.167 50 0 biogenic ICAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000009034092 569497226 /nfs/dbraw/zinc/49/72/26/569497226.db2.gz PFAKDUZAVJIMCH-KWFDTGPKSA-N 0 0 438.458 0.167 50 0 biogenic ICAARN O=C(CC(=O)NCCOC(=O)Nc1ccncc1)NCCOC(=O)Nc1ccncc1 ZINC000009034287 569497277 /nfs/dbraw/zinc/49/72/77/569497277.db2.gz ZNWYAZOXDFNERZ-UHFFFAOYSA-N 0 0 430.421 0.896 50 0 ICAARN COc1ccc(CCNC(=O)C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1OC ZINC000009037419 569497294 /nfs/dbraw/zinc/49/72/94/569497294.db2.gz LGYKMIFZEWNSFV-UHFFFAOYSA-N 0 0 440.460 0.887 50 0 ICAARN Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 ZINC000009039881 569497491 /nfs/dbraw/zinc/49/74/91/569497491.db2.gz AODNJGOHCYXXMK-UHFFFAOYSA-N 0 0 436.428 0.736 50 0 ICAARN COc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCC(=O)NCCO)CC2)cc1 ZINC000009047212 569498473 /nfs/dbraw/zinc/49/84/73/569498473.db2.gz DYHCGFRIYOAUMI-UHFFFAOYSA-N 0 0 427.523 0.005 50 0 ICAARN COC[C@H](O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009047619 569498482 /nfs/dbraw/zinc/49/84/82/569498482.db2.gz AGJUTWSSEFQBHS-NVXWUHKLSA-N 0 0 439.534 0.338 50 0 ICAARN COC[C@@H](O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009047621 569498516 /nfs/dbraw/zinc/49/85/16/569498516.db2.gz AGJUTWSSEFQBHS-WBVHZDCISA-N 0 0 439.534 0.338 50 0 ICAARN COC[C@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009047624 569498498 /nfs/dbraw/zinc/49/84/98/569498498.db2.gz AGJUTWSSEFQBHS-DOTOQJQBSA-N 0 0 439.534 0.338 50 0 ICAARN COC[C@@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009047627 569498496 /nfs/dbraw/zinc/49/84/96/569498496.db2.gz AGJUTWSSEFQBHS-RDJZCZTQSA-N 0 0 439.534 0.338 50 0 ICAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000009048381 569498495 /nfs/dbraw/zinc/49/84/95/569498495.db2.gz NWRACBLXSWCTFQ-UHFFFAOYSA-N 0 0 437.518 0.411 50 0 ICAARN CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)Cn1c3ccccc3oc1=O)C2=O ZINC000009049384 569498528 /nfs/dbraw/zinc/49/85/28/569498528.db2.gz BTTPZXFEKBFWCY-UHFFFAOYSA-N 0 0 430.417 0.670 50 0 ICAARN CC(C)NC(=O)NC(=O)COC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000009050894 569498671 /nfs/dbraw/zinc/49/86/71/569498671.db2.gz KWXFPFHZDFWSGM-CYBMUJFWSA-N 0 0 436.490 0.625 50 0 ICAARN CC(C)NC(=O)NC(=O)COC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000009050895 569498643 /nfs/dbraw/zinc/49/86/43/569498643.db2.gz KWXFPFHZDFWSGM-ZDUSSCGKSA-N 0 0 436.490 0.625 50 0 ICAARN Cc1ccc(-c2[nH]c3c(c2-c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c(=O)n3C)c(C)c1 ZINC000009052845 569498814 /nfs/dbraw/zinc/49/88/14/569498814.db2.gz WRVUJZPRAFHDHO-UHFFFAOYSA-N 0 0 436.472 0.496 50 0 ICAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCN3C(=O)NC(C)(C)C3=O)CC2)cc1 ZINC000009054242 569498882 /nfs/dbraw/zinc/49/88/82/569498882.db2.gz YYDXJZSZSMDMRC-UHFFFAOYSA-N 0 0 436.534 0.939 50 0 ICAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000009058195 569499201 /nfs/dbraw/zinc/49/92/01/569499201.db2.gz OJDBXXKVYYHDFB-UHFFFAOYSA-N 0 0 443.489 0.984 50 0 ICAARN CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000009063836 562966838 /nfs/dbraw/zinc/96/68/38/562966838.db2.gz RKQIKYWQQMIHKG-UHFFFAOYSA-N 0 0 441.506 0.630 50 0 ICAARN COC(=O)CNC(=O)c1ccccc1C(=O)N1CCOCCOCCOCCOCC1 ZINC000009066122 569499898 /nfs/dbraw/zinc/49/98/98/569499898.db2.gz HWFJXAHVLQTKHN-UHFFFAOYSA-N 0 0 438.477 0.112 50 0 ICAARN CCCCN(C(=O)C(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000009075904 569500223 /nfs/dbraw/zinc/50/02/23/569500223.db2.gz UUBHGILRKRMIGA-HOTGVXAUSA-N 0 0 436.596 0.618 50 0 ICAARN CN(C(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000009076817 569500378 /nfs/dbraw/zinc/50/03/78/569500378.db2.gz QOFPXEKEQXTXRP-MRXNPFEDSA-N 0 0 437.518 0.711 50 0 ICAARN CN(C(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000009076818 569500380 /nfs/dbraw/zinc/50/03/80/569500380.db2.gz QOFPXEKEQXTXRP-INIZCTEOSA-N 0 0 437.518 0.711 50 0 ICAARN O=C(NCCO)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)NCCO)cc2)cc1 ZINC000009086633 569500672 /nfs/dbraw/zinc/50/06/72/569500672.db2.gz AQAKGQHWUXHASQ-VXKWHMMOSA-N 0 0 446.456 0.288 50 0 ICAARN O=C(NCCO)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)NCCO)cc2)cc1 ZINC000009086634 569500655 /nfs/dbraw/zinc/50/06/55/569500655.db2.gz AQAKGQHWUXHASQ-FGZHOGPDSA-N 0 0 446.456 0.288 50 0 ICAARN COc1ccccc1Cc1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000009095426 556246500 /nfs/dbraw/zinc/24/65/00/556246500.db2.gz ZBZWUONDXHKGJA-UHFFFAOYSA-N 0 0 441.473 0.523 50 0 ICAARN O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000009096632 132303087 /nfs/dbraw/zinc/30/30/87/132303087.db2.gz KSPOKROCESQNSH-HXUWFJFHSA-N 0 0 442.541 0.915 50 0 ICAARN O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000009096633 132303065 /nfs/dbraw/zinc/30/30/65/132303065.db2.gz KSPOKROCESQNSH-FQEVSTJZSA-N 0 0 442.541 0.915 50 0 ICAARN CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000009096890 562967026 /nfs/dbraw/zinc/96/70/26/562967026.db2.gz KAKWEIYNJKBCOI-MRXNPFEDSA-N 0 0 440.518 0.888 50 0 ICAARN CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000009096891 562967030 /nfs/dbraw/zinc/96/70/30/562967030.db2.gz KAKWEIYNJKBCOI-INIZCTEOSA-N 0 0 440.518 0.888 50 0 ICAARN Nc1nc2c(nc(SC/C=C/c3ccccc3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000009109508 569501946 /nfs/dbraw/zinc/50/19/46/569501946.db2.gz LERQYANQLBUZFN-URAQOHNESA-N 0 0 431.474 0.119 50 0 biogenic ICAARN CC(C)NC(=O)NC(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009111982 555509288 /nfs/dbraw/zinc/50/92/88/555509288.db2.gz ORCLDKLWNQOJRQ-VMPITWQZSA-N 0 0 439.490 0.498 50 0 ICAARN NS(=O)(=O)c1ccc(CCNC(=O)Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000009114966 562967131 /nfs/dbraw/zinc/96/71/31/562967131.db2.gz ZNUWOFWQOXVKQZ-UHFFFAOYSA-N 0 0 425.470 0.656 50 0 ICAARN Cn1c2ncn(CCCC(=O)OCC(=O)Nc3cccnc3Cl)c2c(=O)n(C)c1=O ZINC000009115807 555509274 /nfs/dbraw/zinc/50/92/74/555509274.db2.gz GQSRLUPSPLFQFB-UHFFFAOYSA-N 0 0 434.840 0.444 50 0 ICAARN COC(=O)CSc1ccc2nnc(CCNS(=O)(=O)c3ccc(OC)cc3)n2n1 ZINC000009116761 569502972 /nfs/dbraw/zinc/50/29/72/569502972.db2.gz DKFRVDDNPGPVGW-UHFFFAOYSA-N 0 0 437.503 0.919 50 0 ICAARN COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009119366 562967304 /nfs/dbraw/zinc/96/73/04/562967304.db2.gz IMPBUKCYLYRERF-UHFFFAOYSA-N 0 0 449.485 0.857 50 0 ICAARN CN1CCN(S(=O)(=O)c2ccc(N3CCN(C(=O)c4ccccc4)CC3)nc2)CC1 ZINC000009119427 132304721 /nfs/dbraw/zinc/30/47/21/132304721.db2.gz LHTZXZRGWUCQCJ-UHFFFAOYSA-N 0 0 429.546 0.980 50 0 ICAARN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000009119560 569503566 /nfs/dbraw/zinc/50/35/66/569503566.db2.gz SUTOHTHAQUXLSK-UHFFFAOYSA-N 0 0 439.446 0.811 50 0 ICAARN COC(=O)c1[nH]c(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C(=O)OC)c1C ZINC000009120055 569503744 /nfs/dbraw/zinc/50/37/44/569503744.db2.gz MFMVBENUUNWDHF-UHFFFAOYSA-N 0 0 437.474 0.891 50 0 ICAARN Cn1c(CCC(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc(=O)c2ccccc21 ZINC000009120863 569503987 /nfs/dbraw/zinc/50/39/87/569503987.db2.gz 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Cn1ncc2c1ncn(CCC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)c2=O ZINC000011327979 557091043 /nfs/dbraw/zinc/09/10/43/557091043.db2.gz JYHCRPWSDBPRPT-UHFFFAOYSA-N 0 0 430.490 0.943 50 0 ICAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1C(N)=O ZINC000011332417 557100284 /nfs/dbraw/zinc/10/02/84/557100284.db2.gz BHGMDOGFUQIMEC-UHFFFAOYSA-N 0 0 442.444 0.872 50 0 ICAARN COCCN(C(=O)CSc1nc[nH]n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000011340775 557100888 /nfs/dbraw/zinc/10/08/88/557100888.db2.gz RDWPQPYSAUANBS-UHFFFAOYSA-N 0 0 431.478 0.057 50 0 ICAARN Nc1c(C(=O)CSc2nnc(N3CCOCC3)n2C2CC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000011369467 557114942 /nfs/dbraw/zinc/11/49/42/557114942.db2.gz NYDAJZMKLIEMHN-UHFFFAOYSA-N 0 0 433.494 0.192 50 0 ICAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)cc2)CC1 ZINC000011393181 557138948 /nfs/dbraw/zinc/13/89/48/557138948.db2.gz RBCXZTLVNWPCAI-UHFFFAOYSA-N 0 0 435.502 0.862 50 0 ICAARN CC1CCN(c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2C2CC2)CC1 ZINC000011422881 521050682 /nfs/dbraw/zinc/05/06/82/521050682.db2.gz NILMVMGSDNOSRN-UHFFFAOYSA-N 0 0 433.538 0.804 50 0 ICAARN Cn1c(N)c(C(=O)CSc2nnc(N3CCCC3)n2Cc2ccco2)c(=O)n(C)c1=O ZINC000011428658 556340924 /nfs/dbraw/zinc/34/09/24/556340924.db2.gz OIGLUCWUWCDRPD-UHFFFAOYSA-N 0 0 445.505 0.474 50 0 ICAARN C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000011444899 557148452 /nfs/dbraw/zinc/14/84/52/557148452.db2.gz COGIVFYZTHNJQS-ZDUSSCGKSA-N 0 0 426.447 0.466 50 0 ICAARN C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000011444900 557148463 /nfs/dbraw/zinc/14/84/63/557148463.db2.gz COGIVFYZTHNJQS-CYBMUJFWSA-N 0 0 426.447 0.466 50 0 ICAARN CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)c2)s1 ZINC000011474725 557152469 /nfs/dbraw/zinc/15/24/69/557152469.db2.gz SHAOQCLKDWKYAO-LLVKDONJSA-N 0 0 430.533 0.818 50 0 ICAARN CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)c2)s1 ZINC000011474730 557152476 /nfs/dbraw/zinc/15/24/76/557152476.db2.gz SHAOQCLKDWKYAO-NSHDSACASA-N 0 0 430.533 0.818 50 0 ICAARN Nn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2ccccc2c1=O ZINC000011520466 557157203 /nfs/dbraw/zinc/15/72/03/557157203.db2.gz WAKADUDDXMAAOK-UHFFFAOYSA-N 0 0 433.515 0.209 50 0 ICAARN COc1cc(OC)nc(NC(=O)COC(=O)C2(CC(=O)N3CCOCC3)CCCC2)n1 ZINC000011536331 557160633 /nfs/dbraw/zinc/16/06/33/557160633.db2.gz KYHZJVATUZNGSY-UHFFFAOYSA-N 0 0 436.465 0.785 50 0 ICAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cnccn3)CC2)cc1OC ZINC000011544710 536874702 /nfs/dbraw/zinc/87/47/02/536874702.db2.gz WGQRTQYEEVRGJD-UHFFFAOYSA-N 0 0 435.506 0.511 50 0 ICAARN CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 ZINC000011594618 557229786 /nfs/dbraw/zinc/22/97/86/557229786.db2.gz DSOGYKBUWKTGLR-UHFFFAOYSA-N 0 0 429.520 0.489 50 0 ICAARN CS(=O)(=O)N1CCC(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000011594680 557206890 /nfs/dbraw/zinc/20/68/90/557206890.db2.gz SQUNCRSZTWHRQJ-UHFFFAOYSA-N 0 0 441.550 0.996 50 0 ICAARN CS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000011595005 132338104 /nfs/dbraw/zinc/33/81/04/132338104.db2.gz PRFRMDGLXVKXIJ-UHFFFAOYSA-N 0 0 427.498 0.689 50 0 ICAARN CS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000011595180 132338113 /nfs/dbraw/zinc/33/81/13/132338113.db2.gz FDIGKEVIRKLJPL-UHFFFAOYSA-N 0 0 427.498 0.689 50 0 ICAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)OCc1cc(=O)n(C)c(=O)n1C ZINC000011599851 557207185 /nfs/dbraw/zinc/20/71/85/557207185.db2.gz ABQGURGETYGADF-UHFFFAOYSA-N 0 0 426.355 0.443 50 0 ICAARN COc1ccc(Cn2c(-n3nc(C)cc3C)nc3c2c(=O)n(CC(N)=O)c(=O)n3C)cc1 ZINC000011613334 524256023 /nfs/dbraw/zinc/25/60/23/524256023.db2.gz LXDSWQZKKWCJAP-UHFFFAOYSA-N 0 0 437.460 0.241 50 0 ICAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2cnc3ccsc3c2=O)CC1 ZINC000011652044 557221386 /nfs/dbraw/zinc/22/13/86/557221386.db2.gz RGFVDGOGMKDFGB-UHFFFAOYSA-N 0 0 437.503 0.596 50 0 ICAARN CCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(S(N)(=O)=O)cc2)n(C)c1=O ZINC000011666728 557300575 /nfs/dbraw/zinc/30/05/75/557300575.db2.gz AKKKAMAHHCMBDC-UHFFFAOYSA-N 0 0 430.490 0.813 50 0 ICAARN C[C@H](OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(N)=O ZINC000011677002 557350587 /nfs/dbraw/zinc/35/05/87/557350587.db2.gz ALYKTBKZQKBWMM-LBPRGKRZSA-N 0 0 431.898 0.370 50 0 ICAARN C[C@@H](OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(N)=O ZINC000011677006 557350651 /nfs/dbraw/zinc/35/06/51/557350651.db2.gz ALYKTBKZQKBWMM-GFCCVEGCSA-N 0 0 431.898 0.370 50 0 ICAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)O[C@@H](C)C(N)=O)CC2)c1 ZINC000011677427 557350573 /nfs/dbraw/zinc/35/05/73/557350573.db2.gz RDQPBYRCEYDNJR-HNNXBMFYSA-N 0 0 425.507 0.334 50 0 ICAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)O[C@H](C)C(N)=O)CC2)c1 ZINC000011677434 557350569 /nfs/dbraw/zinc/35/05/69/557350569.db2.gz RDQPBYRCEYDNJR-OAHLLOKOSA-N 0 0 425.507 0.334 50 0 ICAARN CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc5nnc(C)n5n4)CC3)ccc21 ZINC000011696281 132338876 /nfs/dbraw/zinc/33/88/76/132338876.db2.gz YRBCEMQEESLGFZ-UHFFFAOYSA-N 0 0 441.517 0.853 50 0 ICAARN CC(C)(C)NC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000011713229 556643491 /nfs/dbraw/zinc/64/34/91/556643491.db2.gz SKVSFSRKNQCUPY-AWEZNQCLSA-N 0 0 425.507 0.642 50 0 ICAARN CC(C)(C)NC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000011713242 556643520 /nfs/dbraw/zinc/64/35/20/556643520.db2.gz SKVSFSRKNQCUPY-CQSZACIVSA-N 0 0 425.507 0.642 50 0 ICAARN Cc1ccc2c(c1)S[C@H](C(=O)N1CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC1)C2 ZINC000011747426 556650043 /nfs/dbraw/zinc/65/00/43/556650043.db2.gz WYJMDVHTVLGXBZ-SFHVURJKSA-N 0 0 448.570 0.982 50 0 ICAARN Cc1ccc2c(c1)S[C@@H](C(=O)N1CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC1)C2 ZINC000011747428 556650097 /nfs/dbraw/zinc/65/00/97/556650097.db2.gz WYJMDVHTVLGXBZ-GOSISDBHSA-N 0 0 448.570 0.982 50 0 ICAARN Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000011758053 556652038 /nfs/dbraw/zinc/65/20/38/556652038.db2.gz VGNGVOCGWVSPNZ-UHFFFAOYSA-N 0 0 429.458 0.838 50 0 ICAARN Cc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000011758059 556651999 /nfs/dbraw/zinc/65/19/99/556651999.db2.gz HOGOCCAXKZKMSW-UHFFFAOYSA-N 0 0 429.458 0.473 50 0 ICAARN Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O ZINC000011758173 556652541 /nfs/dbraw/zinc/65/25/41/556652541.db2.gz MBPXSXWQHNRQBF-UHFFFAOYSA-N 0 0 445.476 0.784 50 0 ICAARN Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3cccs3)nc2n(C)c1=O ZINC000011758292 556652549 /nfs/dbraw/zinc/65/25/49/556652549.db2.gz KURWXQWBNPYZLX-UHFFFAOYSA-N 0 0 433.515 0.707 50 0 ICAARN COCCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011796825 132340390 /nfs/dbraw/zinc/34/03/90/132340390.db2.gz IUEWEFVMSODDJK-UHFFFAOYSA-N 0 0 443.479 0.787 50 0 ICAARN COCCn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011796826 132340388 /nfs/dbraw/zinc/34/03/88/132340388.db2.gz LAZJLZWBPYIHCF-UHFFFAOYSA-N 0 0 443.479 0.787 50 0 ICAARN COCCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011796827 132340378 /nfs/dbraw/zinc/34/03/78/132340378.db2.gz SFTYBLDAOPETQQ-UHFFFAOYSA-N 0 0 425.489 0.648 50 0 ICAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCN(C(C)=O)CC2)c(OC)c1 ZINC000011814367 562979449 /nfs/dbraw/zinc/97/94/49/562979449.db2.gz NJVVPKOHIAXEPL-LJQANCHMSA-N 0 0 432.521 0.475 50 0 ICAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCN(C(C)=O)CC2)c(OC)c1 ZINC000011814369 562979406 /nfs/dbraw/zinc/97/94/06/562979406.db2.gz NJVVPKOHIAXEPL-IBGZPJMESA-N 0 0 432.521 0.475 50 0 ICAARN COCCN1CCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000011814823 556658198 /nfs/dbraw/zinc/65/81/98/556658198.db2.gz PWSIZQNYJVHIHE-DEOSSOPVSA-N 0 0 444.576 0.734 50 0 ICAARN COCCN1CCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000011814824 556658191 /nfs/dbraw/zinc/65/81/91/556658191.db2.gz PWSIZQNYJVHIHE-XMMPIXPASA-N 0 0 444.576 0.734 50 0 ICAARN COCCn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011835664 556659605 /nfs/dbraw/zinc/65/96/05/556659605.db2.gz GJFCAYYLSIMCPZ-UHFFFAOYSA-N 0 0 444.488 0.675 50 0 ICAARN Cn1c2c(cc(C(=O)NCCCN3CCCC3=O)n2Cc2ccccc2)c(=O)n(C)c1=O ZINC000011844999 556660534 /nfs/dbraw/zinc/66/05/34/556660534.db2.gz VDGDHHWYDIOGKU-UHFFFAOYSA-N 0 0 437.500 0.829 50 0 ICAARN COCCCn1c(C(=O)NC[C@@H]2COc3ccccc3O2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011845190 556660874 /nfs/dbraw/zinc/66/08/74/556660874.db2.gz VHPNLXGJGCHURU-CQSZACIVSA-N 0 0 442.472 0.645 50 0 ICAARN COCCCn1c(C(=O)NC[C@H]2COc3ccccc3O2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011845191 556660829 /nfs/dbraw/zinc/66/08/29/556660829.db2.gz VHPNLXGJGCHURU-AWEZNQCLSA-N 0 0 442.472 0.645 50 0 ICAARN CCCn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011845289 556660820 /nfs/dbraw/zinc/66/08/20/556660820.db2.gz NNUNRHQHEJYRTF-UHFFFAOYSA-N 0 0 427.461 0.640 50 0 ICAARN CCCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011845318 556660833 /nfs/dbraw/zinc/66/08/33/556660833.db2.gz JRXFDGHQOYGSEJ-UHFFFAOYSA-N 0 0 447.517 0.069 50 0 ICAARN COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc23)cc1 ZINC000011866706 523088072 /nfs/dbraw/zinc/08/80/72/523088072.db2.gz FMUNPQJKYBLNBI-XSEKTIEYSA-N 0 0 444.436 0.956 50 0 biogenic ICAARN COc1ccc(-c2cc(=O)oc3cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc32)cc1 ZINC000011866707 523088169 /nfs/dbraw/zinc/08/81/69/523088169.db2.gz DQIVYFNWBDHNFD-WHCFWRGISA-N 0 0 430.409 0.647 50 0 biogenic ICAARN COc1ccc(-c2cc(=O)oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc32)cc1 ZINC000011866709 556666973 /nfs/dbraw/zinc/66/69/73/556666973.db2.gz DQIVYFNWBDHNFD-MIUGBVLSSA-N 0 0 430.409 0.647 50 0 biogenic ICAARN Cc1c(OCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])ccc2c3c(c(=O)oc12)CCC3 ZINC000011866824 556666962 /nfs/dbraw/zinc/66/69/62/556666962.db2.gz VUGDIEJSHVZOPV-HNNXBMFYSA-N 0 0 430.461 0.802 50 0 ICAARN O=C(Cn1nnc2ccccc2c1=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000011867228 556664929 /nfs/dbraw/zinc/66/49/29/556664929.db2.gz GMFHZFBNKMYTCP-IBGZPJMESA-N 0 0 435.440 0.302 50 0 ICAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC(C)(C)N2CCOCC2)cc1C ZINC000011874466 562979619 /nfs/dbraw/zinc/97/96/19/562979619.db2.gz KAPJWUPUHQXALV-IBGZPJMESA-N 0 0 432.565 0.921 50 0 ICAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)N2CCOCC2)cc1C ZINC000011874467 562979655 /nfs/dbraw/zinc/97/96/55/562979655.db2.gz KAPJWUPUHQXALV-LJQANCHMSA-N 0 0 432.565 0.921 50 0 ICAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000011882534 527316743 /nfs/dbraw/zinc/31/67/43/527316743.db2.gz SWJAIGDVMDSXAW-UHFFFAOYSA-N 0 0 425.488 0.607 50 0 ICAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000011904034 525049188 /nfs/dbraw/zinc/04/91/88/525049188.db2.gz HFCCLZZIFIACNP-UHFFFAOYSA-N 0 0 430.504 0.589 50 0 ICAARN C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C1=O ZINC000011904047 556670012 /nfs/dbraw/zinc/67/00/12/556670012.db2.gz TYSNMOFFDBFMLY-CYBMUJFWSA-N 0 0 430.504 0.527 50 0 ICAARN C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C1=O ZINC000011904048 556670043 /nfs/dbraw/zinc/67/00/43/556670043.db2.gz TYSNMOFFDBFMLY-ZDUSSCGKSA-N 0 0 430.504 0.527 50 0 ICAARN COC(=O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)CC1 ZINC000011904622 556670381 /nfs/dbraw/zinc/67/03/81/556670381.db2.gz XVBAOZDVFKYBJN-UHFFFAOYSA-N 0 0 430.504 0.635 50 0 ICAARN CC(=O)N1CCN(S(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)CC1 ZINC000011904710 556670646 /nfs/dbraw/zinc/67/06/46/556670646.db2.gz GMFWICOOUBYNKC-UHFFFAOYSA-N 0 0 429.520 0.223 50 0 ICAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)N1CCC(C(N)=O)CC1 ZINC000011904761 556670610 /nfs/dbraw/zinc/67/06/10/556670610.db2.gz GEUHMPCVSODQGV-UHFFFAOYSA-N 0 0 429.520 0.256 50 0 ICAARN COC(=O)C1CCN(S(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)CC1 ZINC000011904763 556670594 /nfs/dbraw/zinc/67/05/94/556670594.db2.gz VIJFQKHWCOZXQX-UHFFFAOYSA-N 0 0 444.531 0.944 50 0 ICAARN COC(=O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)CC1 ZINC000011904947 556670873 /nfs/dbraw/zinc/67/08/73/556670873.db2.gz 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COc1cccc(OCC(=O)NCCCS(=O)(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000012164467 526228721 /nfs/dbraw/zinc/22/87/21/526228721.db2.gz DITNMMYORIPMGN-UHFFFAOYSA-N 0 0 449.533 0.522 50 0 ICAARN COc1ccc(OCC(=O)NCCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000012164474 524933014 /nfs/dbraw/zinc/93/30/14/524933014.db2.gz UNKXQQZMOOLWTB-UHFFFAOYSA-N 0 0 449.533 0.522 50 0 ICAARN O=C(COc1ccccc1F)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000012164489 526992008 /nfs/dbraw/zinc/99/20/08/526992008.db2.gz QXYBJZSBRQYGLA-UHFFFAOYSA-N 0 0 437.497 0.653 50 0 ICAARN O=C(COc1ccc(F)cc1)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000012164492 526958644 /nfs/dbraw/zinc/95/86/44/526958644.db2.gz SWBVHKNAWZKVGE-UHFFFAOYSA-N 0 0 437.497 0.653 50 0 ICAARN COc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 ZINC000012164892 523695366 /nfs/dbraw/zinc/69/53/66/523695366.db2.gz OWIHAVRIRMEQHK-UHFFFAOYSA-N 0 0 449.533 0.766 50 0 ICAARN COc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1OC ZINC000012164897 523693594 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CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(N2C(=O)CCC2=O)ccc1OC ZINC000012200838 521475493 /nfs/dbraw/zinc/47/54/93/521475493.db2.gz PPPSFPQRCLKPEW-CYBMUJFWSA-N 0 0 430.504 0.546 50 0 ICAARN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(N2C(=O)CCC2=O)ccc1OC ZINC000012200844 521476942 /nfs/dbraw/zinc/47/69/42/521476942.db2.gz PPPSFPQRCLKPEW-ZDUSSCGKSA-N 0 0 430.504 0.546 50 0 ICAARN NS(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000012229884 527313711 /nfs/dbraw/zinc/31/37/11/527313711.db2.gz HJLWYQRYXPIEJY-CQSZACIVSA-N 0 0 438.531 0.698 50 0 ICAARN NS(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000012229890 527313640 /nfs/dbraw/zinc/31/36/40/527313640.db2.gz HJLWYQRYXPIEJY-AWEZNQCLSA-N 0 0 438.531 0.698 50 0 ICAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2CCCc2ccccc2)n1 ZINC000012231410 524497876 /nfs/dbraw/zinc/49/78/76/524497876.db2.gz USFRPRJJDCILCG-UHFFFAOYSA-N 0 0 435.488 0.817 50 0 ICAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2Cc2cc(C)ccc2C)n1 ZINC000012231734 524498051 /nfs/dbraw/zinc/49/80/51/524498051.db2.gz QSLOGMLBANAUNG-UHFFFAOYSA-N 0 0 435.488 0.850 50 0 ICAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2Cc2ccccc2F)n1 ZINC000012231751 524500596 /nfs/dbraw/zinc/50/05/96/524500596.db2.gz RYWHHAMANBSSIV-UHFFFAOYSA-N 0 0 425.424 0.372 50 0 ICAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2Cc2ccc(F)cc2)n1 ZINC000012231768 524500192 /nfs/dbraw/zinc/50/01/92/524500192.db2.gz DEOKXGVWRVRISQ-UHFFFAOYSA-N 0 0 425.424 0.372 50 0 ICAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2Cc2ccccc2Cl)n1 ZINC000012231776 524500718 /nfs/dbraw/zinc/50/07/18/524500718.db2.gz SOEFTKBYFZXYTC-UHFFFAOYSA-N 0 0 441.879 0.886 50 0 ICAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2Cc2cccc(Cl)c2)n1 ZINC000012231790 524499614 /nfs/dbraw/zinc/49/96/14/524499614.db2.gz KWGYZHUKSSMYCG-UHFFFAOYSA-N 0 0 441.879 0.886 50 0 ICAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2Cc2ccc(Cl)cc2)n1 ZINC000012231801 524497677 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NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)cc1 ZINC000012540405 527072574 /nfs/dbraw/zinc/07/25/74/527072574.db2.gz SQROGFBLFVTUQA-UHFFFAOYSA-N 0 0 433.515 0.570 50 0 ICAARN Cn1c2ncn(CC(=O)N3CCN(Cc4ccc(Cl)s4)CC3)c2c(=O)n(C)c1=O ZINC000012540984 527124275 /nfs/dbraw/zinc/12/42/75/527124275.db2.gz PCWRFFSFJBIOSV-UHFFFAOYSA-N 0 0 436.925 0.493 50 0 ICAARN CN(C(=O)COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000012541078 523829142 /nfs/dbraw/zinc/82/91/42/523829142.db2.gz USPUGEIZFLJOJD-HNNXBMFYSA-N 0 0 447.513 0.925 50 0 ICAARN O=C(NCc1ccc(-n2cccn2)nc1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000012544972 526650508 /nfs/dbraw/zinc/65/05/08/526650508.db2.gz PDVPRAFONKNPFR-UHFFFAOYSA-N 0 0 440.485 0.318 50 0 ICAARN Cn1c2ncn(CCCC(=O)N3CCN(Cc4cccs4)CC3)c2c(=O)n(C)c1=O ZINC000012548079 527126053 /nfs/dbraw/zinc/12/60/53/527126053.db2.gz BRFGAZSUVYKMRN-UHFFFAOYSA-N 0 0 430.534 0.620 50 0 ICAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000012549603 526706642 /nfs/dbraw/zinc/70/66/42/526706642.db2.gz JLAPYEBAEDLHMS-KRWDZBQOSA-N 0 0 447.513 0.936 50 0 ICAARN Cc1nnc(COC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)o1 ZINC000012551462 526347141 /nfs/dbraw/zinc/34/71/41/526347141.db2.gz JJODNHTVQNRCSI-UHFFFAOYSA-N 0 0 449.489 0.962 50 0 ICAARN COc1cc(CN(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1OC(F)F ZINC000012551567 522342563 /nfs/dbraw/zinc/34/25/63/522342563.db2.gz HOXKRBXUODWTDI-UHFFFAOYSA-N 0 0 437.403 0.702 50 0 ICAARN COCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000012555324 523365361 /nfs/dbraw/zinc/36/53/61/523365361.db2.gz QVNJZJSZRHTDGA-UHFFFAOYSA-N 0 0 427.523 0.310 50 0 ICAARN Cn1c2ncn(CCCC(=O)NCc3ccc(Cn4cccn4)cc3)c2c(=O)n(C)c1=O ZINC000012558638 527126013 /nfs/dbraw/zinc/12/60/13/527126013.db2.gz SPZFOXFTQDNIPS-UHFFFAOYSA-N 0 0 435.488 0.775 50 0 ICAARN CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000012565642 519917510 /nfs/dbraw/zinc/91/75/10/519917510.db2.gz XXCJVKKYAWTKLI-CQSZACIVSA-N 0 0 432.520 0.129 50 0 ICAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)c2)C[C@@H](C)O1 ZINC000012567006 525053999 /nfs/dbraw/zinc/05/39/99/525053999.db2.gz SWTFFPIKBNEFHF-LBTNJELSSA-N 0 0 430.548 0.792 50 0 ICAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)c2)C[C@H](C)O1 ZINC000012567007 525054806 /nfs/dbraw/zinc/05/48/06/525054806.db2.gz SWTFFPIKBNEFHF-IYOUNJFTSA-N 0 0 430.548 0.792 50 0 ICAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)c2)C[C@H](C)O1 ZINC000012567008 525054406 /nfs/dbraw/zinc/05/44/06/525054406.db2.gz SWTFFPIKBNEFHF-QWQRMKEZSA-N 0 0 430.548 0.792 50 0 ICAARN Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc3c(c2)OCCCO3)c1=O ZINC000012567732 527073474 /nfs/dbraw/zinc/07/34/74/527073474.db2.gz WFFRLLJWMWLTCG-UHFFFAOYSA-N 0 0 429.477 0.920 50 0 ICAARN COCCN(C(=O)c1cccc(-n2cnnn2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012567831 523555439 /nfs/dbraw/zinc/55/54/39/523555439.db2.gz ODMLMJJQPUJFPP-UHFFFAOYSA-N 0 0 428.453 0.044 50 0 ICAARN 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/nfs/dbraw/zinc/74/22/21/521742221.db2.gz OOHMHHHPJAROCH-ZDUSSCGKSA-N 0 0 437.449 0.324 50 0 ICAARN CCCn1c(N)c(C(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(=O)n(C)c1=O ZINC000012690685 521632374 /nfs/dbraw/zinc/63/23/74/521632374.db2.gz GGHVKCGGKRFHAP-AWEZNQCLSA-N 0 0 446.485 0.768 50 0 ICAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)N[C@@H]1CCS(=O)(=O)C1 ZINC000012694175 526910916 /nfs/dbraw/zinc/91/09/16/526910916.db2.gz IMNQJVNSCMHTSF-CVEARBPZSA-N 0 0 434.470 0.467 50 0 ICAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)N[C@H]1CCS(=O)(=O)C1 ZINC000012694183 526910307 /nfs/dbraw/zinc/91/03/07/526910307.db2.gz IMNQJVNSCMHTSF-HOTGVXAUSA-N 0 0 434.470 0.467 50 0 ICAARN COC(=O)C1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)c(OC)c2)CC1 ZINC000012709296 522909896 /nfs/dbraw/zinc/90/98/96/522909896.db2.gz SLYUDMGHBUEWML-KRWDZBQOSA-N 0 0 433.505 0.806 50 0 ICAARN COC(=O)C1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)c(OC)c2)CC1 ZINC000012709300 522910209 /nfs/dbraw/zinc/91/02/09/522910209.db2.gz SLYUDMGHBUEWML-QGZVFWFLSA-N 0 0 433.505 0.806 50 0 ICAARN O=C(NC1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1)c1ccccc1 ZINC000012728811 527521661 /nfs/dbraw/zinc/52/16/61/527521661.db2.gz KPSIQXLYSCPRCZ-QGZVFWFLSA-N 0 0 446.529 0.573 50 0 ICAARN O=C(NC1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1)c1ccccc1 ZINC000012728816 527521095 /nfs/dbraw/zinc/52/10/95/527521095.db2.gz KPSIQXLYSCPRCZ-KRWDZBQOSA-N 0 0 446.529 0.573 50 0 ICAARN O=C(Cn1nc2c(cc1=O)CCCC2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012734200 527417976 /nfs/dbraw/zinc/41/79/76/527417976.db2.gz GMJUZPROLGQSBF-UHFFFAOYSA-N 0 0 434.493 0.794 50 0 ICAARN O=C(NCCc1cccs1)C(=O)NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012736232 526442490 /nfs/dbraw/zinc/44/24/90/526442490.db2.gz BSNQGEZMGZSMDK-MRXNPFEDSA-N 0 0 449.554 0.743 50 0 ICAARN O=C(NCCc1cccs1)C(=O)NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000012736235 526441998 /nfs/dbraw/zinc/44/19/98/526441998.db2.gz BSNQGEZMGZSMDK-INIZCTEOSA-N 0 0 449.554 0.743 50 0 ICAARN Cc1ccc(C(=O)NCCNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1F ZINC000012737570 526164357 /nfs/dbraw/zinc/16/43/57/526164357.db2.gz WAISMQBQCVSKAF-UHFFFAOYSA-N 0 0 426.456 0.729 50 0 ICAARN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012739831 527364330 /nfs/dbraw/zinc/36/43/30/527364330.db2.gz PLIZHZPBYPHEPJ-UHFFFAOYSA-N 0 0 449.305 0.854 50 0 ICAARN Cc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000012745704 526551600 /nfs/dbraw/zinc/55/16/00/526551600.db2.gz XXOVLGAKAIEJGB-KRWDZBQOSA-N 0 0 447.517 0.718 50 0 ICAARN Cc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1 ZINC000012745709 526551877 /nfs/dbraw/zinc/55/18/77/526551877.db2.gz XXOVLGAKAIEJGB-QGZVFWFLSA-N 0 0 447.517 0.718 50 0 ICAARN C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O ZINC000012745773 525893635 /nfs/dbraw/zinc/89/36/35/525893635.db2.gz CIYJXYMTFPFUCJ-SFHVURJKSA-N 0 0 440.445 0.228 50 0 ICAARN C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O ZINC000012745777 525320402 /nfs/dbraw/zinc/32/04/02/525320402.db2.gz CIYJXYMTFPFUCJ-GOSISDBHSA-N 0 0 440.445 0.228 50 0 ICAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)CC1 ZINC000012746883 523914959 /nfs/dbraw/zinc/91/49/59/523914959.db2.gz MGQVNQDTVCNAES-UHFFFAOYSA-N 0 0 441.513 0.971 50 0 ICAARN CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3sc(=O)[nH]c3C)CC2)cc1 ZINC000012747455 521197117 /nfs/dbraw/zinc/19/71/17/521197117.db2.gz YUDVPYZMICKOQP-UHFFFAOYSA-N 0 0 447.560 0.839 50 0 ICAARN COc1ccccc1NC(=O)Cc1noc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)n1 ZINC000012747494 524604843 /nfs/dbraw/zinc/60/48/43/524604843.db2.gz SXJGDBKIQDHZNM-UHFFFAOYSA-N 0 0 447.473 0.720 50 0 ICAARN CCOC(=O)N1CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000012748431 520952720 /nfs/dbraw/zinc/95/27/20/520952720.db2.gz BLLUOQDUMSTHPI-UHFFFAOYSA-N 0 0 428.511 0.658 50 0 ICAARN COc1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1NS(C)(=O)=O ZINC000012748728 524698013 /nfs/dbraw/zinc/69/80/13/524698013.db2.gz PYBZIERRBDQEIO-UHFFFAOYSA-N 0 0 435.505 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ZINC000015686879 520014707 /nfs/dbraw/zinc/01/47/07/520014707.db2.gz ZIJBJNJIXBRIEG-UKRRQHHQSA-N 0 0 446.547 0.518 50 0 ICAARN CCN(C(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000015686881 556543277 /nfs/dbraw/zinc/54/32/77/556543277.db2.gz ZIJBJNJIXBRIEG-HIFRSBDPSA-N 0 0 446.547 0.518 50 0 ICAARN CCN(C(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000015686883 556543771 /nfs/dbraw/zinc/54/37/71/556543771.db2.gz ZIJBJNJIXBRIEG-DZGCQCFKSA-N 0 0 446.547 0.518 50 0 ICAARN CCN(C(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000015686885 556543698 /nfs/dbraw/zinc/54/36/98/556543698.db2.gz ZIJBJNJIXBRIEG-ZFWWWQNUSA-N 0 0 446.547 0.518 50 0 ICAARN NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000015701052 556544442 /nfs/dbraw/zinc/54/44/42/556544442.db2.gz SGJFXFLRGGVJAX-UHFFFAOYSA-N 0 0 426.296 0.849 50 0 ICAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)cc1 ZINC000015712864 556544613 /nfs/dbraw/zinc/54/46/13/556544613.db2.gz HJLIZDSQDLUVQO-UHFFFAOYSA-N 0 0 436.515 0.504 50 0 ICAARN O=C(CCc1nc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)no1)N1CCOCC1 ZINC000015722044 568811917 /nfs/dbraw/zinc/81/19/17/568811917.db2.gz SBMNBYADPUELSA-UHFFFAOYSA-N 0 0 431.468 0.958 50 0 ICAARN CN1C(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000015723711 568812295 /nfs/dbraw/zinc/81/22/95/568812295.db2.gz RTCUURYACURNJN-NRFANRHFSA-N 0 0 445.520 0.765 50 0 biogenic ICAARN CN1C(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000015723713 568812320 /nfs/dbraw/zinc/81/23/20/568812320.db2.gz RTCUURYACURNJN-OAQYLSRUSA-N 0 0 445.520 0.765 50 0 biogenic ICAARN CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)N3CCC4(CC3)OCCO4)cc2C(=O)N1C ZINC000015723768 519659747 /nfs/dbraw/zinc/65/97/47/519659747.db2.gz XNMCPTGPWVSINA-OAQYLSRUSA-N 0 0 447.536 0.869 50 0 biogenic ICAARN CC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)N3CCC4(CC3)OCCO4)cc2C(=O)N1C ZINC000015723771 568812308 /nfs/dbraw/zinc/81/23/08/568812308.db2.gz XNMCPTGPWVSINA-NRFANRHFSA-N 0 0 447.536 0.869 50 0 biogenic ICAARN COc1cc(C(=O)N2CCN(c3c(C)n(C)c(=O)n(C)c3=O)CC2)cc(OC)c1OC ZINC000015729916 568813654 /nfs/dbraw/zinc/81/36/54/568813654.db2.gz QRMHODIFDDJXHW-UHFFFAOYSA-N 0 0 432.477 0.381 50 0 ICAARN CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(C)C(=O)OC23CCN(S(C)(=O)=O)CC3)C1 ZINC000015731360 1073311105 /nfs/dbraw/zinc/31/11/05/1073311105.db2.gz SSKVMFCRABHIQO-CQSZACIVSA-N 0 0 428.507 0.456 50 0 biogenic ICAARN CCOC(=O)[C@H]1CCCN(C(=O)C2=C(C)C(=O)OC23CCN(S(C)(=O)=O)CC3)C1 ZINC000015731361 1073311157 /nfs/dbraw/zinc/31/11/57/1073311157.db2.gz SSKVMFCRABHIQO-AWEZNQCLSA-N 0 0 428.507 0.456 50 0 biogenic ICAARN COc1ccc(CNC(=O)C2=C(C)C(=O)OC23CCN(S(C)(=O)=O)CC3)cc1OC ZINC000015731372 524045522 /nfs/dbraw/zinc/04/55/22/524045522.db2.gz VNZWPTUMKVKMQS-UHFFFAOYSA-N 0 0 438.502 0.988 50 0 biogenic ICAARN CC1=C(C(=O)N2CCN(C)CC2)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731383 568814932 /nfs/dbraw/zinc/81/49/32/568814932.db2.gz WCPMTYBWODZMQJ-UHFFFAOYSA-N 0 0 439.559 0.919 50 0 biogenic ICAARN COc1ccc(CNC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)cc1OC ZINC000015732760 568815464 /nfs/dbraw/zinc/81/54/64/568815464.db2.gz GSZQHDUSWXRPNQ-UHFFFAOYSA-N 0 0 431.474 0.935 50 0 ICAARN COc1cccc(CNC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)c1OC ZINC000015732761 568815503 /nfs/dbraw/zinc/81/55/03/568815503.db2.gz LPDBVJLXBBYRGA-UHFFFAOYSA-N 0 0 431.474 0.935 50 0 ICAARN COc1ccc(CNC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)c(OC)c1 ZINC000015732764 568815533 /nfs/dbraw/zinc/81/55/33/568815533.db2.gz ATFKWHKVTPEOQP-UHFFFAOYSA-N 0 0 431.474 0.935 50 0 ICAARN COc1ccc(OC)c(CNC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)c1 ZINC000015732767 568815467 /nfs/dbraw/zinc/81/54/67/568815467.db2.gz YUKMGQYOZMDYAU-UHFFFAOYSA-N 0 0 431.474 0.935 50 0 ICAARN COCCc1nn2c(nc(COC(=O)CN3C(=O)c4ccccc4C3=O)cc2=O)s1 ZINC000015734308 568816256 /nfs/dbraw/zinc/81/62/56/568816256.db2.gz FRTYIVACOLOZAZ-UHFFFAOYSA-N 0 0 428.426 0.679 50 0 ICAARN CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)N1CCC2(CC1)OCCO2 ZINC000015736011 523731169 /nfs/dbraw/zinc/73/11/69/523731169.db2.gz LKCHGVKBWMGZKN-QFIPXVFZSA-N 0 0 440.500 0.967 50 0 biogenic ICAARN CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)N1CCC2(CC1)OCCO2 ZINC000015736013 568817002 /nfs/dbraw/zinc/81/70/02/568817002.db2.gz LKCHGVKBWMGZKN-JOCHJYFZSA-N 0 0 440.500 0.967 50 0 biogenic ICAARN COc1ccc(CCNC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000015767321 568821426 /nfs/dbraw/zinc/82/14/26/568821426.db2.gz PUKVRKMAVODZIM-UHFFFAOYSA-N 0 0 438.506 0.280 50 0 ICAARN COc1ccccc1N1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000015767353 568821788 /nfs/dbraw/zinc/82/17/88/568821788.db2.gz UBYVXNSXPSPOTO-UHFFFAOYSA-N 0 0 449.533 0.261 50 0 ICAARN Cc1cccc(N2CCN(C(=O)Cn3cnc(S(=O)(=O)N4CCOCC4)c3)CC2)c1C ZINC000015767380 568821654 /nfs/dbraw/zinc/82/16/54/568821654.db2.gz VNCCDUWGCUTDMK-UHFFFAOYSA-N 0 0 447.561 0.870 50 0 ICAARN Cc1ccc(C)c(N2CCN(C(=O)Cn3cnc(S(=O)(=O)N4CCOCC4)c3)CC2)c1 ZINC000015767385 568821668 /nfs/dbraw/zinc/82/16/68/568821668.db2.gz LFYVUIGLYSPFFA-UHFFFAOYSA-N 0 0 447.561 0.870 50 0 ICAARN O=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000015767456 568821664 /nfs/dbraw/zinc/82/16/64/568821664.db2.gz DQQJWRTWNUPEMI-UHFFFAOYSA-N 0 0 433.534 0.248 50 0 ICAARN O=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000015767517 568821931 /nfs/dbraw/zinc/82/19/31/568821931.db2.gz QPJNGOIGEHRATL-UHFFFAOYSA-N 0 0 437.497 0.392 50 0 ICAARN CCOc1ccc(CNC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000015767653 568821897 /nfs/dbraw/zinc/82/18/97/568821897.db2.gz NUIMEFNUOCNEGS-UHFFFAOYSA-N 0 0 438.506 0.628 50 0 ICAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCCCN4CCOCC4)ncn3n2)cc1 ZINC000015772686 568822852 /nfs/dbraw/zinc/82/28/52/568822852.db2.gz RBFOGWKIYNUKOJ-UHFFFAOYSA-N 0 0 426.477 0.405 50 0 ICAARN COCCN1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)C1=O ZINC000015774402 523853807 /nfs/dbraw/zinc/85/38/07/523853807.db2.gz FHFCFOITCXNWEQ-UHFFFAOYSA-N 0 0 429.926 0.810 50 0 ICAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)NCc1ccccn1 ZINC000015775741 568823464 /nfs/dbraw/zinc/82/34/64/568823464.db2.gz ARCJDHWCQZFWJL-HXUWFJFHSA-N 0 0 444.513 0.697 50 0 ICAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCc1ccccn1 ZINC000015775743 568823416 /nfs/dbraw/zinc/82/34/16/568823416.db2.gz ARCJDHWCQZFWJL-FQEVSTJZSA-N 0 0 444.513 0.697 50 0 ICAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)NCc1cccnc1 ZINC000015775745 568823458 /nfs/dbraw/zinc/82/34/58/568823458.db2.gz UQWMNXBFNHABNF-HXUWFJFHSA-N 0 0 444.513 0.697 50 0 ICAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCc1cccnc1 ZINC000015775747 568823465 /nfs/dbraw/zinc/82/34/65/568823465.db2.gz UQWMNXBFNHABNF-FQEVSTJZSA-N 0 0 444.513 0.697 50 0 ICAARN CCOCCCNC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1C(C)=O ZINC000015775834 568823444 /nfs/dbraw/zinc/82/34/44/568823444.db2.gz ZHZJDDBUCLVELW-IBGZPJMESA-N 0 0 439.534 0.528 50 0 ICAARN CCOCCCNC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1C(C)=O ZINC000015775836 568823452 /nfs/dbraw/zinc/82/34/52/568823452.db2.gz ZHZJDDBUCLVELW-LJQANCHMSA-N 0 0 439.534 0.528 50 0 ICAARN COCCCNC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1C(C)=O ZINC000015775842 568823457 /nfs/dbraw/zinc/82/34/57/568823457.db2.gz KVHWIBDMMHTJEQ-SFHVURJKSA-N 0 0 425.507 0.138 50 0 ICAARN COCCCNC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1C(C)=O ZINC000015775844 568823448 /nfs/dbraw/zinc/82/34/48/568823448.db2.gz KVHWIBDMMHTJEQ-GOSISDBHSA-N 0 0 425.507 0.138 50 0 ICAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)NCCc1ccco1 ZINC000015775890 519639458 /nfs/dbraw/zinc/63/94/58/519639458.db2.gz LHZLBRVCZRDRNI-HXUWFJFHSA-N 0 0 447.513 0.937 50 0 ICAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCCc1ccco1 ZINC000015775891 568823646 /nfs/dbraw/zinc/82/36/46/568823646.db2.gz LHZLBRVCZRDRNI-FQEVSTJZSA-N 0 0 447.513 0.937 50 0 ICAARN Cc1nn(CCC(=O)N2CCN(c3ncccn3)CC2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000015777536 568824776 /nfs/dbraw/zinc/82/47/76/568824776.db2.gz YANJTDSTPSOMIH-UHFFFAOYSA-N 0 0 447.565 0.813 50 0 ICAARN CCn1c2ccc(NS(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)cc2oc1=O ZINC000015780484 568825347 /nfs/dbraw/zinc/82/53/47/568825347.db2.gz PDCQYZLJGWRFRW-UHFFFAOYSA-N 0 0 430.442 0.966 50 0 ICAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)NCc1ccc3c(c1)OCO3)OCC(=O)N2 ZINC000015822320 525612311 /nfs/dbraw/zinc/61/23/11/525612311.db2.gz WUMIEEZJNMWUSK-UHFFFAOYSA-N 0 0 447.469 0.992 50 0 ICAARN Cc1nnc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)s1 ZINC000015823711 568840252 /nfs/dbraw/zinc/84/02/52/568840252.db2.gz LWMPUYSGJYVGEJ-UHFFFAOYSA-N 0 0 436.563 0.955 50 0 ICAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 ZINC000015842491 568844657 /nfs/dbraw/zinc/84/46/57/568844657.db2.gz SXDQOTJDNCEJBZ-UHFFFAOYSA-N 0 0 437.499 0.373 50 0 ICAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)cc1 ZINC000015858506 527310912 /nfs/dbraw/zinc/31/09/12/527310912.db2.gz LUNZJGAAMHYXAS-UHFFFAOYSA-N 0 0 437.499 0.373 50 0 ICAARN Cc1ccc2nc(C)c(Cc3nnc(SCC(=O)N4CCOCC4)n3C)c(=O)n2c1 ZINC000015859179 568846954 /nfs/dbraw/zinc/84/69/54/568846954.db2.gz MCBPBQHDJLMFBW-UHFFFAOYSA-N 0 0 428.518 0.982 50 0 ICAARN Cc1cccn2c(=O)c(Cc3nnc(SCC(=O)N4CCOCC4)n3C)c(C)nc12 ZINC000015859234 568847262 /nfs/dbraw/zinc/84/72/62/568847262.db2.gz AGLQEADJPVOCQQ-UHFFFAOYSA-N 0 0 428.518 0.982 50 0 ICAARN Cc1c(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(=O)n(C)c(=O)n1C ZINC000015863332 568849241 /nfs/dbraw/zinc/84/92/41/568849241.db2.gz GLTWOAZZLMRZAS-UHFFFAOYSA-N 0 0 432.546 0.782 50 0 ICAARN CC(=O)Nc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CCNCC2)C(C)C)cc1 ZINC000015868837 556559376 /nfs/dbraw/zinc/55/93/76/556559376.db2.gz DRIDVKTUMDWVLL-UHFFFAOYSA-N 0 0 432.568 0.279 50 0 ICAARN COc1ccc(S(=O)(=O)N(CCC(C)C)CCS(=O)(=O)N2CCNCC2)cc1 ZINC000015868858 556559573 /nfs/dbraw/zinc/55/95/73/556559573.db2.gz UJVQHRPVIMJXSF-UHFFFAOYSA-N 0 0 433.596 0.967 50 0 ICAARN CCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000015868901 569460459 /nfs/dbraw/zinc/46/04/59/569460459.db2.gz UGLWQRGQIMJXSM-UHFFFAOYSA-N 0 0 440.385 0.695 50 0 ICAARN CCCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000015868963 521669624 /nfs/dbraw/zinc/66/96/24/521669624.db2.gz JKJCHKWKHOCRFH-UHFFFAOYSA-N 0 0 432.568 0.281 50 0 ICAARN CC(=O)Nc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CCNCC2)CC(C)C)cc1 ZINC000015868986 556559626 /nfs/dbraw/zinc/55/96/26/556559626.db2.gz UTAXKFZNHINVPH-UHFFFAOYSA-N 0 0 446.595 0.527 50 0 ICAARN COc1ccc(OC)c(S(=O)(=O)N(CCS(=O)(=O)N2CCNCC2)CC(C)C)c1 ZINC000015868989 556559655 /nfs/dbraw/zinc/55/96/55/556559655.db2.gz QPDFVTNTBFUIAB-UHFFFAOYSA-N 0 0 449.595 0.586 50 0 ICAARN CCCCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000015868993 556559753 /nfs/dbraw/zinc/55/97/53/556559753.db2.gz ALNUBUJBPHYUOU-UHFFFAOYSA-N 0 0 446.595 0.671 50 0 ICAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCCNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000015879902 556560563 /nfs/dbraw/zinc/56/05/63/556560563.db2.gz LBUJJIAJRRYJEI-UHFFFAOYSA-N 0 0 437.499 0.832 50 0 ICAARN COc1ccc(CCNC(=O)Cn2c(=O)c3c(ncc(C)c3OC)n(C)c2=O)cc1OC ZINC000015880299 568853796 /nfs/dbraw/zinc/85/37/96/568853796.db2.gz WRZKXMXYTCMVKI-UHFFFAOYSA-N 0 0 442.472 0.788 50 0 ICAARN COc1ccc(CCNC(=O)Cn2c(=O)c3c(OC)ccnc3n(C)c2=O)cc1OC ZINC000015880343 568853842 /nfs/dbraw/zinc/85/38/42/568853842.db2.gz WUGUKPYLTZVPPS-UHFFFAOYSA-N 0 0 428.445 0.480 50 0 ICAARN CCOc1c(C)cnc2c1c(=O)n(CC(=O)NCc1ccc3c(c1)OCO3)c(=O)n2C ZINC000015880411 568854073 /nfs/dbraw/zinc/85/40/73/568854073.db2.gz LZWPVEXRNVUATB-UHFFFAOYSA-N 0 0 426.429 0.847 50 0 ICAARN COc1ccc(CCNC(=O)CSc2nc3c(cnn3CCO)c(=O)[nH]2)cc1OC ZINC000015881240 568855052 /nfs/dbraw/zinc/85/50/52/568855052.db2.gz IUEADQXQFGCGKF-UHFFFAOYSA-N 0 0 433.490 0.992 50 0 ICAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000015882256 568856715 /nfs/dbraw/zinc/85/67/15/568856715.db2.gz XPKQZJHTGBPHCJ-UHFFFAOYSA-N 0 0 431.474 0.878 50 0 ICAARN Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2c1n(C)c(=O)n(C)c2=O ZINC000015882257 568856821 /nfs/dbraw/zinc/85/68/21/568856821.db2.gz MSGVVXZJUGYDDJ-UHFFFAOYSA-N 0 0 428.518 0.412 50 0 ICAARN CCOC(=O)N1CCN(C(=O)CSc2c(CC)cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000015883401 568857638 /nfs/dbraw/zinc/85/76/38/568857638.db2.gz QIPBBAVOAJGJNG-UHFFFAOYSA-N 0 0 449.533 0.587 50 0 ICAARN COCc1cnc2c(c1SCC(=O)Nc1ccc(C(N)=O)cc1)c(=O)n(C)c(=O)n2C ZINC000015883791 568857985 /nfs/dbraw/zinc/85/79/85/568857985.db2.gz GKRRCUBQPISHQV-UHFFFAOYSA-N 0 0 443.485 0.608 50 0 ICAARN CCOC(=O)N1CCN(C(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5ccncc5)C(=O)[C@@H]24)O3)CC1 ZINC000015905505 556562627 /nfs/dbraw/zinc/56/26/27/556562627.db2.gz KSBITQWQWJKHLN-WYADAEROSA-N 0 0 426.473 0.664 50 0 ICAARN CCOC(=O)N1CCN(C(=O)[C@@H]2[C@H]3C=C[C@]4(CN(Cc5ccncc5)C(=O)[C@@H]24)O3)CC1 ZINC000015905507 556562484 /nfs/dbraw/zinc/56/24/84/556562484.db2.gz KSBITQWQWJKHLN-OZQHCQBDSA-N 0 0 426.473 0.664 50 0 ICAARN CCOC(=O)N1CCN(C(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5ccncc5)C(=O)[C@H]24)O3)CC1 ZINC000015905509 556562593 /nfs/dbraw/zinc/56/25/93/556562593.db2.gz KSBITQWQWJKHLN-BZDHPDOMSA-N 0 0 426.473 0.664 50 0 ICAARN CCOC(=O)N1CCN(C(=O)[C@@H]2[C@H]3C=C[C@]4(CN(Cc5ccncc5)C(=O)[C@H]24)O3)CC1 ZINC000015905511 556562617 /nfs/dbraw/zinc/56/26/17/556562617.db2.gz KSBITQWQWJKHLN-QSNWEANLSA-N 0 0 426.473 0.664 50 0 ICAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 ZINC000015912355 568858719 /nfs/dbraw/zinc/85/87/19/568858719.db2.gz QGVTVKQUEULXPZ-UHFFFAOYSA-N 0 0 430.442 0.999 50 0 ICAARN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000015919238 520560359 /nfs/dbraw/zinc/56/03/59/520560359.db2.gz LEQFWKPHDITUIQ-UHFFFAOYSA-N 0 0 440.518 0.888 50 0 ICAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)cc1 ZINC000015929950 563018386 /nfs/dbraw/zinc/01/83/86/563018386.db2.gz PXDSOXGBGQPGQI-UHFFFAOYSA-N 0 0 438.506 0.249 50 0 ICAARN COC(CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1)OC ZINC000015934027 563018388 /nfs/dbraw/zinc/01/83/88/563018388.db2.gz RWFAVTHPHYFIEV-CYBMUJFWSA-N 0 0 441.506 0.610 50 0 ICAARN COC(CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1)OC ZINC000015934028 522531593 /nfs/dbraw/zinc/53/15/93/522531593.db2.gz RWFAVTHPHYFIEV-ZDUSSCGKSA-N 0 0 441.506 0.610 50 0 ICAARN COC(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1)OC ZINC000015934972 568858844 /nfs/dbraw/zinc/85/88/44/568858844.db2.gz MPPMZEVZSVFGGK-GFCCVEGCSA-N 0 0 427.479 0.267 50 0 ICAARN COC(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1)OC ZINC000015934973 568858940 /nfs/dbraw/zinc/85/89/40/568858940.db2.gz MPPMZEVZSVFGGK-LBPRGKRZSA-N 0 0 427.479 0.267 50 0 ICAARN CCOC(=O)Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2oc1=O ZINC000015936968 520916481 /nfs/dbraw/zinc/91/64/81/520916481.db2.gz KGSRTYDAZYZECB-UHFFFAOYSA-N 0 0 441.462 0.620 50 0 ICAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000015940568 556566286 /nfs/dbraw/zinc/56/62/86/556566286.db2.gz LRNWXQJIXDSRCZ-UHFFFAOYSA-N 0 0 434.424 0.630 50 0 ICAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)CCO)sc2N2CCOCC2)cc1 ZINC000015943663 556566583 /nfs/dbraw/zinc/56/65/83/556566583.db2.gz AUFZMQHIPNMSQA-UHFFFAOYSA-N 0 0 432.545 0.887 50 0 ICAARN COCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc21 ZINC000015943894 563020024 /nfs/dbraw/zinc/02/00/24/563020024.db2.gz ULCXHTIGEBYHRI-HUUCEWRRSA-N 0 0 439.534 0.841 50 0 ICAARN COCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc21 ZINC000015943897 563020075 /nfs/dbraw/zinc/02/00/75/563020075.db2.gz ULCXHTIGEBYHRI-GJZGRUSLSA-N 0 0 439.534 0.841 50 0 ICAARN COCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc21 ZINC000015943899 563020063 /nfs/dbraw/zinc/02/00/63/563020063.db2.gz ULCXHTIGEBYHRI-GASCZTMLSA-N 0 0 439.534 0.841 50 0 ICAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 ZINC000015943916 563020015 /nfs/dbraw/zinc/02/00/15/563020015.db2.gz DLCIBFDTDLSMDG-UHFFFAOYSA-N 0 0 430.486 0.805 50 0 ICAARN Cc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 ZINC000015943918 563020046 /nfs/dbraw/zinc/02/00/46/563020046.db2.gz CFPNUYFJSWIHIP-UHFFFAOYSA-N 0 0 444.513 0.829 50 0 ICAARN Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 ZINC000015943922 563020068 /nfs/dbraw/zinc/02/00/68/563020068.db2.gz WMPBWVBEROLKDM-UHFFFAOYSA-N 0 0 444.513 0.483 50 0 ICAARN Cc1cccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000015943956 563020009 /nfs/dbraw/zinc/02/00/09/563020009.db2.gz TZTXPXQCTASHND-UHFFFAOYSA-N 0 0 444.513 0.829 50 0 ICAARN CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000015943965 522484424 /nfs/dbraw/zinc/48/44/24/522484424.db2.gz JAWOYUINIQZSOU-UHFFFAOYSA-N 0 0 448.476 0.313 50 0 ICAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000015951971 526712636 /nfs/dbraw/zinc/71/26/36/526712636.db2.gz ZKYVGJLOPHYDQP-UHFFFAOYSA-N 0 0 438.481 0.523 50 0 ICAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2cccc(C)c2NC1=O ZINC000015957145 568859928 /nfs/dbraw/zinc/85/99/28/568859928.db2.gz WSYFWXFVZOQPKV-RSOWOLOUSA-N 0 0 448.479 0.800 50 0 biogenic ICAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@@]21c2cccc(C)c2NC1=O ZINC000015957146 568859948 /nfs/dbraw/zinc/85/99/48/568859948.db2.gz WSYFWXFVZOQPKV-WDEBQMKVSA-N 0 0 448.479 0.800 50 0 biogenic ICAARN C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015957337 568860163 /nfs/dbraw/zinc/86/01/63/568860163.db2.gz MWRPTJIDKCQYQG-HOTVIMPFSA-N 0 0 435.436 0.717 50 0 biogenic ICAARN C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015957338 568860093 /nfs/dbraw/zinc/86/00/93/568860093.db2.gz MWRPTJIDKCQYQG-BWCBDTGESA-N 0 0 435.436 0.717 50 0 biogenic ICAARN NC(=O)C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000015957352 568860100 /nfs/dbraw/zinc/86/01/00/568860100.db2.gz LQIIGBJEKXOORT-ASLVLFSISA-N 0 0 448.435 0.258 50 0 biogenic ICAARN C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000015957558 568860057 /nfs/dbraw/zinc/86/00/57/568860057.db2.gz RMTOHXUNGJLXEC-HOTVIMPFSA-N 0 0 435.436 0.764 50 0 biogenic ICAARN C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000015957559 568860166 /nfs/dbraw/zinc/86/01/66/568860166.db2.gz RMTOHXUNGJLXEC-BWCBDTGESA-N 0 0 435.436 0.764 50 0 biogenic ICAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2ccccc2NC1=O ZINC000015957796 568860145 /nfs/dbraw/zinc/86/01/45/568860145.db2.gz ZZJWFNNADHQXDH-ZMHGRXQUSA-N 0 0 434.452 0.491 50 0 biogenic ICAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@@]21c2ccccc2NC1=O ZINC000015957797 568860127 /nfs/dbraw/zinc/86/01/27/568860127.db2.gz ZZJWFNNADHQXDH-HZNUMKHLSA-N 0 0 434.452 0.491 50 0 biogenic ICAARN NC(=O)C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015957804 568860270 /nfs/dbraw/zinc/86/02/70/568860270.db2.gz ORJBKMZAFHXCPU-WBRFWCBQSA-N 0 0 434.408 0.216 50 0 biogenic ICAARN NC(=O)C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015958349 568860345 /nfs/dbraw/zinc/86/03/45/568860345.db2.gz OYOWIUFJRJXQMQ-ASLVLFSISA-N 0 0 448.435 0.211 50 0 biogenic ICAARN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3ccccc3NC2=O)cc1 ZINC000015958451 568860339 /nfs/dbraw/zinc/86/03/39/568860339.db2.gz NWBCSTDYTQBICF-FAODYONGSA-N 0 0 448.435 0.412 50 0 biogenic ICAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3ccccc3NC2=O)cc1 ZINC000015958790 568860265 /nfs/dbraw/zinc/86/02/65/568860265.db2.gz OOWITYBOKZAVIR-FAODYONGSA-N 0 0 434.452 0.491 50 0 biogenic ICAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3cccc(C)c3NC2=O)cc1 ZINC000015959431 568860261 /nfs/dbraw/zinc/86/02/61/568860261.db2.gz JVRBFWIIQRJPPY-BKJGLDIHSA-N 0 0 448.479 0.800 50 0 biogenic ICAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3cccc(C)c3NC2=O)cc1 ZINC000015959432 568860310 /nfs/dbraw/zinc/86/03/10/568860310.db2.gz JVRBFWIIQRJPPY-DOGKRZLPSA-N 0 0 448.479 0.800 50 0 biogenic ICAARN COC(CNC(=O)CNC(=S)N(CCCN1CCOCC1)Cc1cccs1)OC ZINC000015961434 522535306 /nfs/dbraw/zinc/53/53/06/522535306.db2.gz NXDXJAOXERSTBO-UHFFFAOYSA-N 0 0 444.623 0.882 50 0 ICAARN Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967844 568861321 /nfs/dbraw/zinc/86/13/21/568861321.db2.gz NUGIMNVLSBFQCM-NARGUJOISA-N 0 0 432.480 0.834 50 0 biogenic ICAARN Cc1cccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967846 568861318 /nfs/dbraw/zinc/86/13/18/568861318.db2.gz NUGIMNVLSBFQCM-DOGKRZLPSA-N 0 0 432.480 0.834 50 0 biogenic ICAARN Cc1cccc2c1NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967848 568861231 /nfs/dbraw/zinc/86/12/31/568861231.db2.gz NUGIMNVLSBFQCM-SYSFZUQMSA-N 0 0 432.480 0.834 50 0 biogenic ICAARN Cc1cccc2c1NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967850 568861305 /nfs/dbraw/zinc/86/13/05/568861305.db2.gz NUGIMNVLSBFQCM-BKJGLDIHSA-N 0 0 432.480 0.834 50 0 biogenic ICAARN Cc1ccc2c(c1)[C@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015969441 568861547 /nfs/dbraw/zinc/86/15/47/568861547.db2.gz YBZPMIUHTQSGDD-QLBZUPSYSA-N 0 0 432.480 0.834 50 0 biogenic ICAARN Cc1ccc2c(c1)[C@@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015969443 568861535 /nfs/dbraw/zinc/86/15/35/568861535.db2.gz YBZPMIUHTQSGDD-GHCZAOPSSA-N 0 0 432.480 0.834 50 0 biogenic ICAARN Cc1ccc2c(c1)[C@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015969444 568861489 /nfs/dbraw/zinc/86/14/89/568861489.db2.gz YBZPMIUHTQSGDD-ZHNFZGJGSA-N 0 0 432.480 0.834 50 0 biogenic ICAARN Cc1ccc2c(c1)[C@@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015969446 568861482 /nfs/dbraw/zinc/86/14/82/568861482.db2.gz YBZPMIUHTQSGDD-HMSHQKHKSA-N 0 0 432.480 0.834 50 0 biogenic ICAARN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)NCCO)ccc1OCC)[nH]c2=O ZINC000015979779 556570605 /nfs/dbraw/zinc/57/06/05/556570605.db2.gz YVPFDZKAMRTUER-UHFFFAOYSA-N 0 0 435.506 0.945 50 0 ICAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016010269 556573851 /nfs/dbraw/zinc/57/38/51/556573851.db2.gz LIJCIZYQTAWMNZ-PBWVOLNLSA-N 0 0 440.406 0.761 50 0 ICAARN NC(=O)C[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016010270 526910202 /nfs/dbraw/zinc/91/02/02/526910202.db2.gz LIJCIZYQTAWMNZ-XNGFIGEISA-N 0 0 440.406 0.761 50 0 ICAARN NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016010271 556573860 /nfs/dbraw/zinc/57/38/60/556573860.db2.gz LIJCIZYQTAWMNZ-KANGHSEISA-N 0 0 440.406 0.761 50 0 ICAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016010272 556573840 /nfs/dbraw/zinc/57/38/40/556573840.db2.gz LIJCIZYQTAWMNZ-YDGKCNFYSA-N 0 0 440.406 0.761 50 0 ICAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016021003 556574977 /nfs/dbraw/zinc/57/49/77/556574977.db2.gz IVMQJJIHDGUVPT-FAODYONGSA-N 0 0 436.443 0.664 50 0 ICAARN NC(=O)C[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021005 556574939 /nfs/dbraw/zinc/57/49/39/556574939.db2.gz IVMQJJIHDGUVPT-NZQNYPKQSA-N 0 0 436.443 0.664 50 0 ICAARN NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016021007 556574994 /nfs/dbraw/zinc/57/49/94/556574994.db2.gz IVMQJJIHDGUVPT-QYUDBREXSA-N 0 0 436.443 0.664 50 0 ICAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021008 556574966 /nfs/dbraw/zinc/57/49/66/556574966.db2.gz IVMQJJIHDGUVPT-YQYRJILISA-N 0 0 436.443 0.664 50 0 ICAARN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2cc(Br)ccc2NC1=O ZINC000016022176 556575629 /nfs/dbraw/zinc/57/56/29/556575629.db2.gz VXLVXFJCMVYMAA-IBWPGLOJSA-N 0 0 449.305 0.845 50 0 ICAARN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@@]21c2cc(Br)ccc2NC1=O ZINC000016022177 556575588 /nfs/dbraw/zinc/57/55/88/556575588.db2.gz VXLVXFJCMVYMAA-WGDDSDEBSA-N 0 0 449.305 0.845 50 0 ICAARN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016024687 556575965 /nfs/dbraw/zinc/57/59/65/556575965.db2.gz SYBQALHEBYPZNF-MAUHSQPMSA-N 0 0 438.278 0.197 50 0 ICAARN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2cc(Br)ccc2NC1=O ZINC000016025100 556576551 /nfs/dbraw/zinc/57/65/51/556576551.db2.gz AKGKVHNQYDQQTE-UBXMYJPPSA-N 0 0 449.305 0.843 50 0 ICAARN Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016033989 556577104 /nfs/dbraw/zinc/57/71/04/556577104.db2.gz QQCSVLDZCAEYMY-XQNUDUSMSA-N 0 0 436.443 0.930 50 0 ICAARN Cc1cccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016033990 556577053 /nfs/dbraw/zinc/57/70/53/556577053.db2.gz QQCSVLDZCAEYMY-XITLKHQFSA-N 0 0 436.443 0.930 50 0 ICAARN Cc1cccc2c1NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016033991 556577040 /nfs/dbraw/zinc/57/70/40/556577040.db2.gz QQCSVLDZCAEYMY-SAQZZPNQSA-N 0 0 436.443 0.930 50 0 ICAARN Cc1cccc2c1NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016033992 556576991 /nfs/dbraw/zinc/57/69/91/556576991.db2.gz QQCSVLDZCAEYMY-VGHKVXAASA-N 0 0 436.443 0.930 50 0 ICAARN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2cc(Br)ccc2NC1=O ZINC000016034089 556577423 /nfs/dbraw/zinc/57/74/23/556577423.db2.gz CVXVPBYFEXYYOY-IPJQRFBASA-N 0 0 449.305 0.843 50 0 ICAARN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@@]21c2cc(Br)ccc2NC1=O ZINC000016034090 518706538 /nfs/dbraw/zinc/70/65/38/518706538.db2.gz CVXVPBYFEXYYOY-PRKYJLDLSA-N 0 0 449.305 0.843 50 0 ICAARN CC1(C)O[C@@H]2[C@H](O1)[C@@H]1OC(C)(C)O[C@@H]1O[C@@H]2C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000016036513 568867789 /nfs/dbraw/zinc/86/77/89/568867789.db2.gz KOGJTKKRHBGYHM-BLDNINTCSA-N 0 0 428.463 0.669 50 0 ICAARN C[C@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]21)C(=O)Nc1nccs1 ZINC000016040007 568868376 /nfs/dbraw/zinc/86/83/76/568868376.db2.gz DILXHGWWMIOHCN-WRGSQBHDSA-N 0 0 427.479 0.983 50 0 biogenic ICAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)NC(N)=O)ccc2Cl)C[C@H](C)O1 ZINC000016043498 556578281 /nfs/dbraw/zinc/57/82/81/556578281.db2.gz WFVAMZPNNVDNGN-AOOOYVTPSA-N 0 0 433.870 0.490 50 0 ICAARN COc1cc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc(Br)c1O ZINC000016044070 556578667 /nfs/dbraw/zinc/57/86/67/556578667.db2.gz UYXIRSWMMLWCOZ-SNVBAGLBSA-N 0 0 436.280 0.966 50 0 ICAARN COc1cc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc(Br)c1O ZINC000016044071 522169902 /nfs/dbraw/zinc/16/99/02/522169902.db2.gz UYXIRSWMMLWCOZ-JTQLQIEISA-N 0 0 436.280 0.966 50 0 ICAARN CSCC[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc2ccccc2[nH]1 ZINC000016045139 556579234 /nfs/dbraw/zinc/57/92/34/556579234.db2.gz CSJHMLBFJFLGOA-AWEZNQCLSA-N 0 0 441.517 0.921 50 0 ICAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016045613 521614248 /nfs/dbraw/zinc/61/42/48/521614248.db2.gz KCIHHBXOYHXYTJ-UHFFFAOYSA-N 0 0 441.535 0.733 50 0 ICAARN Cn1c2ncn(CC(=O)OCC(=O)N(Cc3ccccc3)C(C)(C)C)c2c(=O)n(C)c1=O ZINC000016045845 556579598 /nfs/dbraw/zinc/57/95/98/556579598.db2.gz OWDMPEXHSJREEQ-UHFFFAOYSA-N 0 0 441.488 0.804 50 0 ICAARN COc1ccc(N2C[C@@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 ZINC000016047642 568869262 /nfs/dbraw/zinc/86/92/62/568869262.db2.gz HYPUKDAVATWNSV-HNNXBMFYSA-N 0 0 432.502 0.990 50 0 ICAARN COc1ccc(N2C[C@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 ZINC000016047643 568869240 /nfs/dbraw/zinc/86/92/40/568869240.db2.gz HYPUKDAVATWNSV-OAHLLOKOSA-N 0 0 432.502 0.990 50 0 ICAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000016056362 521554054 /nfs/dbraw/zinc/55/40/54/521554054.db2.gz JJFUZICYJODBKC-UHFFFAOYSA-N 0 0 426.477 0.619 50 0 ICAARN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1 ZINC000016126866 556584708 /nfs/dbraw/zinc/58/47/08/556584708.db2.gz XERKTROWIMOOPN-HNNXBMFYSA-N 0 0 434.426 0.701 50 0 ICAARN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c1 ZINC000016126868 556584698 /nfs/dbraw/zinc/58/46/98/556584698.db2.gz XERKTROWIMOOPN-OAHLLOKOSA-N 0 0 434.426 0.701 50 0 ICAARN Cc1csc(=O)n1CC(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000016132650 556584787 /nfs/dbraw/zinc/58/47/87/556584787.db2.gz BSZMMKAPSOBNGX-SNVBAGLBSA-N 0 0 425.488 0.387 50 0 ICAARN Cc1csc(=O)n1CC(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000016132651 526306342 /nfs/dbraw/zinc/30/63/42/526306342.db2.gz BSZMMKAPSOBNGX-JTQLQIEISA-N 0 0 425.488 0.387 50 0 ICAARN Cn1c(N)c(C(=O)COC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c(=O)n(C)c1=O ZINC000016167676 556587060 /nfs/dbraw/zinc/58/70/60/556587060.db2.gz PUKWYHSTPBLWHF-UHFFFAOYSA-N 0 0 443.456 0.675 50 0 ICAARN O=S(=O)(c1ccc(NC(=S)NCCCN2CCOCC2)cc1)N1CCOCC1 ZINC000016215678 556591565 /nfs/dbraw/zinc/59/15/65/556591565.db2.gz CKESQSVPLCMGMD-UHFFFAOYSA-N 0 0 428.580 0.716 50 0 ICAARN NC(=O)c1c2c(sc1NC(=O)COC(=O)Cn1nnc3ccccc3c1=O)CCC2 ZINC000016258561 556594860 /nfs/dbraw/zinc/59/48/60/556594860.db2.gz XNHXKPOGXFRPAT-UHFFFAOYSA-N 0 0 427.442 0.623 50 0 ICAARN CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000016448732 556608900 /nfs/dbraw/zinc/60/89/00/556608900.db2.gz LTMKWDKZNGUZBS-SFHVURJKSA-N 0 0 441.550 0.214 50 0 ICAARN CCC(=O)c1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000016448734 556608906 /nfs/dbraw/zinc/60/89/06/556608906.db2.gz LTMKWDKZNGUZBS-GOSISDBHSA-N 0 0 441.550 0.214 50 0 ICAARN COc1ccc(NC(=O)CN2CCN(C(C)=O)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000016473198 524493453 /nfs/dbraw/zinc/49/34/53/524493453.db2.gz MYNUBDYMPSOZOM-UHFFFAOYSA-N 0 0 438.550 0.972 50 0 ICAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCN(c2ncccn2)CC1 ZINC000016483351 521389680 /nfs/dbraw/zinc/38/96/80/521389680.db2.gz CQFZEIMVBOYCQJ-UHFFFAOYSA-N 0 0 432.506 0.883 50 0 ICAARN O=C(CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000016489172 556612078 /nfs/dbraw/zinc/61/20/78/556612078.db2.gz NWACWGSUZSLEPD-UHFFFAOYSA-N 0 0 445.925 0.048 50 0 ICAARN COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1I ZINC000016489635 556612088 /nfs/dbraw/zinc/61/20/88/556612088.db2.gz PPIXLUVAOIIOGX-UHFFFAOYSA-N 0 0 426.276 0.910 50 0 ICAARN CSc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C(=O)N1CCOCC1 ZINC000016624973 556618636 /nfs/dbraw/zinc/61/86/36/556618636.db2.gz DMSQZRBPDBYMLT-UHFFFAOYSA-N 0 0 427.548 0.767 50 0 ICAARN CCOC(=O)N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2C)CC1 ZINC000016625139 556618733 /nfs/dbraw/zinc/61/87/33/556618733.db2.gz QILYJQCTTYZJEX-SFHVURJKSA-N 0 0 445.520 0.425 50 0 ICAARN CCOC(=O)N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2C)CC1 ZINC000016625143 556618714 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/nfs/dbraw/zinc/00/86/38/525008638.db2.gz YVOLVRAXQFKRPN-UHFFFAOYSA-N 0 0 434.518 0.977 50 0 ICAARN Cc1c(C)n2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1Cc1ccco1 ZINC000020533192 525687636 /nfs/dbraw/zinc/68/76/36/525687636.db2.gz AXJSOXRNMSDKQZ-UHFFFAOYSA-N 0 0 426.477 0.740 50 0 ICAARN COc1cccc(-n2c(C)cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 ZINC000020533214 525747041 /nfs/dbraw/zinc/74/70/41/525747041.db2.gz HEBGRKZQWUBBEO-UHFFFAOYSA-N 0 0 438.488 0.788 50 0 ICAARN CC(=O)[C@H](C)n1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020533302 518216971 /nfs/dbraw/zinc/21/69/71/518216971.db2.gz JYDKLQGCTURWBE-ZDUSSCGKSA-N 0 0 442.476 0.135 50 0 ICAARN CC(=O)[C@@H](C)n1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020533303 519761153 /nfs/dbraw/zinc/76/11/53/519761153.db2.gz JYDKLQGCTURWBE-CYBMUJFWSA-N 0 0 442.476 0.135 50 0 ICAARN Cn1c2nc(CN3CCN(CCO)CC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000020533438 527120628 /nfs/dbraw/zinc/12/06/28/527120628.db2.gz ZZMBCUWZLHJHQC-UHFFFAOYSA-N 0 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CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@]21c2cc(Br)ccc2NC1=O ZINC000020565741 520561659 /nfs/dbraw/zinc/56/16/59/520561659.db2.gz VXLVXFJCMVYMAA-NFWAQSGPSA-N 0 0 449.305 0.845 50 0 ICAARN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@]21c2cc(Br)ccc2NC1=O ZINC000020565743 520563038 /nfs/dbraw/zinc/56/30/38/520563038.db2.gz VXLVXFJCMVYMAA-OUFKLWKOSA-N 0 0 449.305 0.845 50 0 ICAARN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000020566435 523806845 /nfs/dbraw/zinc/80/68/45/523806845.db2.gz SYBQALHEBYPZNF-MYAGOPIHSA-N 0 0 438.278 0.197 50 0 ICAARN NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572316 526904756 /nfs/dbraw/zinc/90/47/56/526904756.db2.gz SKXPXFPKMWAWBT-SCDZQZPHSA-N 0 0 432.864 0.115 50 0 ICAARN COC(=O)c1c2c(sc1NC(=O)C(=O)NCCN1CCOCC1)COC(C)(C)C2 ZINC000020573741 521784535 /nfs/dbraw/zinc/78/45/35/521784535.db2.gz URSVMJPDZGZQGS-UHFFFAOYSA-N 0 0 425.507 0.773 50 0 ICAARN CCOC(=O)C1CCN(C(=O)C2=C(C)C(=O)OC23CCN(S(=O)(=O)CC)CC3)CC1 ZINC000020581733 1072036787 /nfs/dbraw/zinc/03/67/87/1072036787.db2.gz FRXZZIXDWQXQLR-UHFFFAOYSA-N 0 0 442.534 0.846 50 0 biogenic ICAARN CCOC(=O)N1CCN(C(=O)C2=C(C)C(=O)OC23CCN(S(=O)(=O)CC)CC3)CC1 ZINC000020581736 520943932 /nfs/dbraw/zinc/94/39/32/520943932.db2.gz PFKGNBCUCSKZCF-UHFFFAOYSA-N 0 0 443.522 0.345 50 0 biogenic ICAARN NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1 ZINC000020583703 527312349 /nfs/dbraw/zinc/31/23/49/527312349.db2.gz WEYSOIRIDXWWCF-UHFFFAOYSA-N 0 0 440.528 0.667 50 0 ICAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 ZINC000020588469 525018847 /nfs/dbraw/zinc/01/88/47/525018847.db2.gz CDVWZPWBOSTBBX-UHFFFAOYSA-N 0 0 425.551 0.934 50 0 ICAARN COC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCOCC2)c1=O)COC(C)(C)C3 ZINC000020589597 523390612 /nfs/dbraw/zinc/39/06/12/523390612.db2.gz TZQGIBGAMKNFAP-UHFFFAOYSA-N 0 0 437.518 0.581 50 0 ICAARN CCn1cc(C(=O)NCC(=O)NCCCN2CCOCC2)c(=O)c2cc3c(cc21)OCO3 ZINC000020589821 523336081 /nfs/dbraw/zinc/33/60/81/523336081.db2.gz OGQCKQJGDHOOSI-UHFFFAOYSA-N 0 0 444.488 0.318 50 0 ICAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)NCCN1CCOCC1 ZINC000020603426 527530983 /nfs/dbraw/zinc/53/09/83/527530983.db2.gz QLXORKPOXSTBPV-UHFFFAOYSA-N 0 0 443.552 0.497 50 0 ICAARN CCc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000020604909 522408975 /nfs/dbraw/zinc/40/89/75/522408975.db2.gz LWBPWVYPPVVNRQ-UHFFFAOYSA-N 0 0 443.485 0.727 50 0 ICAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@]21c2cccc(C)c2NC1=O ZINC000020610756 524445279 /nfs/dbraw/zinc/44/52/79/524445279.db2.gz WSYFWXFVZOQPKV-PAXILDSZSA-N 0 0 448.479 0.800 50 0 biogenic ICAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@]21c2cccc(C)c2NC1=O ZINC000020610758 524444852 /nfs/dbraw/zinc/44/48/52/524444852.db2.gz WSYFWXFVZOQPKV-UNKHORCTSA-N 0 0 448.479 0.800 50 0 biogenic ICAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@]21c2ccccc2NC1=O ZINC000020611108 524445572 /nfs/dbraw/zinc/44/55/72/524445572.db2.gz ZZJWFNNADHQXDH-JYISGYRJSA-N 0 0 434.452 0.491 50 0 biogenic ICAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@]21c2ccccc2NC1=O ZINC000020611110 524444804 /nfs/dbraw/zinc/44/48/04/524444804.db2.gz ZZJWFNNADHQXDH-NSNOHRKYSA-N 0 0 434.452 0.491 50 0 biogenic ICAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@]32c3cccc(C)c3NC2=O)cc1 ZINC000020611884 524020300 /nfs/dbraw/zinc/02/03/00/524020300.db2.gz JVRBFWIIQRJPPY-SYSFZUQMSA-N 0 0 448.479 0.800 50 0 biogenic ICAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@]32c3cccc(C)c3NC2=O)cc1 ZINC000020611886 524020667 /nfs/dbraw/zinc/02/06/67/524020667.db2.gz JVRBFWIIQRJPPY-NARGUJOISA-N 0 0 448.479 0.800 50 0 biogenic ICAARN O=C(NCCCn1ccnc1)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614113 526290138 /nfs/dbraw/zinc/29/01/38/526290138.db2.gz NPISYGDDRSLATO-QGZVFWFLSA-N 0 0 429.477 0.308 50 0 ICAARN O=C(NCCCn1ccnc1)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614114 526289572 /nfs/dbraw/zinc/28/95/72/526289572.db2.gz NPISYGDDRSLATO-KRWDZBQOSA-N 0 0 429.477 0.308 50 0 ICAARN O=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000020614929 526316817 /nfs/dbraw/zinc/31/68/17/526316817.db2.gz KZFHSQIPTZNXMV-SFHVURJKSA-N 0 0 435.502 0.359 50 0 ICAARN O=C(NCCN1CCOCC1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000020614931 526316772 /nfs/dbraw/zinc/31/67/72/526316772.db2.gz KZFHSQIPTZNXMV-GOSISDBHSA-N 0 0 435.502 0.359 50 0 ICAARN O=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000020614991 526317346 /nfs/dbraw/zinc/31/73/46/526317346.db2.gz CUBIOGYEPSVIGF-HNNXBMFYSA-N 0 0 441.531 0.421 50 0 ICAARN O=C(NCCN1CCOCC1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000020614993 526317616 /nfs/dbraw/zinc/31/76/16/526317616.db2.gz CUBIOGYEPSVIGF-OAHLLOKOSA-N 0 0 441.531 0.421 50 0 ICAARN CCn1cc(C(=O)NCCC(=O)NCCN2CCOCC2)c(=O)c2cc3c(cc21)OCO3 ZINC000020621683 523335962 /nfs/dbraw/zinc/33/59/62/523335962.db2.gz GREPMPIFLBHEIM-UHFFFAOYSA-N 0 0 444.488 0.318 50 0 ICAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccc(F)cc1)=NN3CCN1CCOCC1 ZINC000020623867 527123087 /nfs/dbraw/zinc/12/30/87/527123087.db2.gz RKULUMJPOYTMFA-UHFFFAOYSA-N 0 0 441.467 0.129 50 0 ICAARN CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)CC1 ZINC000020646819 523879180 /nfs/dbraw/zinc/87/91/80/523879180.db2.gz UCICTUJZBQAPBA-QGZVFWFLSA-N 0 0 434.562 0.988 50 0 ICAARN CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)CC1 ZINC000020646822 523878549 /nfs/dbraw/zinc/87/85/49/523878549.db2.gz UCICTUJZBQAPBA-KRWDZBQOSA-N 0 0 434.562 0.988 50 0 ICAARN COc1ccc2c(C)c(CC(=O)N(C)CC(=O)N3CCN(C)CC3)c(=O)oc2c1OC ZINC000020647640 525496435 /nfs/dbraw/zinc/49/64/35/525496435.db2.gz OUXASSKAVHCYPA-UHFFFAOYSA-N 0 0 431.489 0.894 50 0 ICAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1-c1ccc(OCCN2CCOCC2)cc1 ZINC000020649201 525943395 /nfs/dbraw/zinc/94/33/95/525943395.db2.gz CYNCJOYNTAIDCB-UHFFFAOYSA-N 0 0 438.488 0.695 50 0 ICAARN CC1=NN(CCN2CCOCC2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 ZINC000020650317 520889814 /nfs/dbraw/zinc/88/98/14/520889814.db2.gz UIBXDAGUJVWLEB-UHFFFAOYSA-N 0 0 437.504 0.473 50 0 ICAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCCN1CCOCC1 ZINC000020663664 526561332 /nfs/dbraw/zinc/56/13/32/526561332.db2.gz JAAWDHSLDMBXID-INIZCTEOSA-N 0 0 432.477 0.454 50 0 ICAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1-c1cccc(OCCN2CCOCC2)c1 ZINC000020663670 525944117 /nfs/dbraw/zinc/94/41/17/525944117.db2.gz LCNKYWKLQVUMHR-UHFFFAOYSA-N 0 0 438.488 0.695 50 0 ICAARN CCN1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N4CCOCC4)cc3c2O)CC1 ZINC000020663691 521668612 /nfs/dbraw/zinc/66/86/12/521668612.db2.gz DJDXFVAQUSLPIU-UHFFFAOYSA-N 0 0 434.518 0.327 50 0 ICAARN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CCN(CC(=O)c2ccccc2)CC1 ZINC000020676924 525943633 /nfs/dbraw/zinc/94/36/33/525943633.db2.gz ORTZUDMTFHNKMF-UHFFFAOYSA-N 0 0 449.515 0.485 50 0 ICAARN CCOCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)OCC)CC2)C1 ZINC000020686856 519891823 /nfs/dbraw/zinc/89/18/23/519891823.db2.gz KNOWXJCCAZHKFQ-MRXNPFEDSA-N 0 0 434.559 0.260 50 0 ICAARN CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)OCC)CC2)C1 ZINC000020686860 519893868 /nfs/dbraw/zinc/89/38/68/519893868.db2.gz KNOWXJCCAZHKFQ-INIZCTEOSA-N 0 0 434.559 0.260 50 0 ICAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)CC1 ZINC000020686876 520955422 /nfs/dbraw/zinc/95/54/22/520955422.db2.gz JFFNUAVMLZNVSP-OAHLLOKOSA-N 0 0 428.511 0.627 50 0 ICAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)CC1 ZINC000020686881 520955088 /nfs/dbraw/zinc/95/50/88/520955088.db2.gz JFFNUAVMLZNVSP-HNNXBMFYSA-N 0 0 428.511 0.627 50 0 ICAARN Cn1c2nc3n(c2c(=O)n(CCN2CCOCC2)c1=O)CCCN3c1ccc(F)cc1 ZINC000020706453 527123756 /nfs/dbraw/zinc/12/37/56/527123756.db2.gz JGBWPZKZDXEPPB-UHFFFAOYSA-N 0 0 428.468 0.910 50 0 ICAARN CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000020713709 525173475 /nfs/dbraw/zinc/17/34/75/525173475.db2.gz SOERSTAXBDAKTG-VMPITWQZSA-N 0 0 448.589 0.728 50 0 ICAARN CC(C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000020714518 519655120 /nfs/dbraw/zinc/65/51/20/519655120.db2.gz KKZRGYCQEGQJKJ-UHFFFAOYSA-N 0 0 425.536 0.687 50 0 ICAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2cccs2)C1 ZINC000020716474 525402031 /nfs/dbraw/zinc/40/20/31/525402031.db2.gz HVADMJZQGZZADX-GFCCVEGCSA-N 0 0 426.520 0.193 50 0 ICAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2cccs2)C1 ZINC000020716478 525401624 /nfs/dbraw/zinc/40/16/24/525401624.db2.gz HVADMJZQGZZADX-LBPRGKRZSA-N 0 0 426.520 0.193 50 0 ICAARN COc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H]4CS(=O)(=O)C[C@@H]4O)cc3C2=O)cc1 ZINC000020717148 524399172 /nfs/dbraw/zinc/39/91/72/524399172.db2.gz HNPGVDARPUXYMJ-SJORKVTESA-N 0 0 430.438 0.384 50 0 ICAARN COc1ccc(N2C(=O)c3ccc(C(=O)N[C@H]4CS(=O)(=O)C[C@@H]4O)cc3C2=O)cc1 ZINC000020717152 524399137 /nfs/dbraw/zinc/39/91/37/524399137.db2.gz HNPGVDARPUXYMJ-IRXDYDNUSA-N 0 0 430.438 0.384 50 0 ICAARN COc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H]4CS(=O)(=O)C[C@H]4O)cc3C2=O)cc1 ZINC000020717156 524398679 /nfs/dbraw/zinc/39/86/79/524398679.db2.gz HNPGVDARPUXYMJ-IAGOWNOFSA-N 0 0 430.438 0.384 50 0 ICAARN COc1ccc(N2C(=O)c3ccc(C(=O)N[C@H]4CS(=O)(=O)C[C@H]4O)cc3C2=O)cc1 ZINC000020717160 524399818 /nfs/dbraw/zinc/39/98/18/524399818.db2.gz HNPGVDARPUXYMJ-DLBZAZTESA-N 0 0 430.438 0.384 50 0 ICAARN O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccccn2)CC1 ZINC000020720922 527137748 /nfs/dbraw/zinc/13/77/48/527137748.db2.gz XTANPKPPKHKTDV-INIZCTEOSA-N 0 0 437.456 0.970 50 0 ICAARN COc1ccccc1N1CCN(C(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000020721756 524542767 /nfs/dbraw/zinc/54/27/67/524542767.db2.gz HCWQIEGPXZRSCC-UHFFFAOYSA-N 0 0 438.550 0.228 50 0 ICAARN COc1cc2ncn(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC ZINC000020724738 523069488 /nfs/dbraw/zinc/06/94/88/523069488.db2.gz LFCVEVXDFGNLEV-UHFFFAOYSA-N 0 0 446.485 0.420 50 0 ICAARN O=C(NCc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000020725067 526730958 /nfs/dbraw/zinc/73/09/58/526730958.db2.gz FMSMVGUSJJYESA-UHFFFAOYSA-N 0 0 445.526 0.841 50 0 ICAARN CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000020726888 525173196 /nfs/dbraw/zinc/17/31/96/525173196.db2.gz SWFZQLNMPWYTTG-UHFFFAOYSA-N 0 0 442.969 0.873 50 0 ICAARN O=C(NCCN1CCOCC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000020728856 526317022 /nfs/dbraw/zinc/31/70/22/526317022.db2.gz DOXPNIJSSFJCAZ-UHFFFAOYSA-N 0 0 427.431 0.808 50 0 ICAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)CC3 ZINC000020730280 525485497 /nfs/dbraw/zinc/48/54/97/525485497.db2.gz XFSPYMFDYIHWEJ-UHFFFAOYSA-N 0 0 448.545 0.945 50 0 ICAARN O=C(CCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000020731493 526380023 /nfs/dbraw/zinc/38/00/23/526380023.db2.gz ODXKZOSVOLPTHT-MRXNPFEDSA-N 0 0 446.529 0.536 50 0 ICAARN O=C(CCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000020731496 526379357 /nfs/dbraw/zinc/37/93/57/526379357.db2.gz ODXKZOSVOLPTHT-INIZCTEOSA-N 0 0 446.529 0.536 50 0 ICAARN CC(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000020734856 519700966 /nfs/dbraw/zinc/70/09/66/519700966.db2.gz PKWUHBFFWWRXRB-UHFFFAOYSA-N 0 0 425.536 0.829 50 0 ICAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N3CCN(C=O)CC3)cc1O2 ZINC000020737242 519521252 /nfs/dbraw/zinc/52/12/52/519521252.db2.gz LJDQEZQKZCPMNU-UHFFFAOYSA-N 0 0 429.473 0.712 50 0 ICAARN NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000020739204 527308709 /nfs/dbraw/zinc/30/87/09/527308709.db2.gz HRKOWEQRDDEJAU-UHFFFAOYSA-N 0 0 429.506 0.347 50 0 ICAARN Cc1nnc2ccc(N3CCC(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)CC3)nn12 ZINC000020739561 526413799 /nfs/dbraw/zinc/41/37/99/526413799.db2.gz YBFAUUFQPHXLGG-UHFFFAOYSA-N 0 0 443.533 0.655 50 0 ICAARN O=C(NCCN1CCOCC1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 ZINC000020744314 526317723 /nfs/dbraw/zinc/31/77/23/526317723.db2.gz DRCBZYZMDDFDSZ-UHFFFAOYSA-N 0 0 430.914 0.267 50 0 ICAARN COc1cc2ncn(CC(=O)N[C@H](C(=O)N3CCOCC3)C(C)C)c(=O)c2cc1OC ZINC000020744327 523070526 /nfs/dbraw/zinc/07/05/26/523070526.db2.gz ZCPGDWJWFSNVGF-IBGZPJMESA-N 0 0 432.477 0.413 50 0 ICAARN NC(=O)C1CCN(C(=O)CCC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)CC1 ZINC000020746058 526855147 /nfs/dbraw/zinc/85/51/47/526855147.db2.gz YQAPFFBNVVHJFS-UHFFFAOYSA-N 0 0 439.516 0.956 50 0 ICAARN CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCN3CCOCC3)c(O)c2c1 ZINC000020754031 520810407 /nfs/dbraw/zinc/81/04/07/520810407.db2.gz JSPNKQGSTFPKNC-UHFFFAOYSA-N 0 0 436.534 0.621 50 0 ICAARN COc1cc2ncn(CC(=O)NCCC(=O)NCc3ccccn3)c(=O)c2cc1OC ZINC000020760860 523069128 /nfs/dbraw/zinc/06/91/28/523069128.db2.gz HMYHSMFEPKKGBD-UHFFFAOYSA-N 0 0 425.445 0.631 50 0 biogenic ICAARN COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)NCc3ccccn3)c(=O)c2cc1OC ZINC000020760899 523069194 /nfs/dbraw/zinc/06/91/94/523069194.db2.gz OPQOSYDDWNLBJL-ZDUSSCGKSA-N 0 0 425.445 0.630 50 0 biogenic ICAARN COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)NCc3cccnc3)c(=O)c2cc1OC ZINC000020762650 523069547 /nfs/dbraw/zinc/06/95/47/523069547.db2.gz CITHWMUOUWSFOI-ZDUSSCGKSA-N 0 0 425.445 0.630 50 0 biogenic ICAARN COc1cc2ncn(CC(=O)NCCC(=O)NCc3cccnc3)c(=O)c2cc1OC ZINC000020763037 523070943 /nfs/dbraw/zinc/07/09/43/523070943.db2.gz SWDJAXKPLAWYJH-UHFFFAOYSA-N 0 0 425.445 0.631 50 0 biogenic ICAARN COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)NCc3ccncc3)c(=O)c2cc1OC ZINC000020763410 523069906 /nfs/dbraw/zinc/06/99/06/523069906.db2.gz WLOAYMBCGDKUQK-ZDUSSCGKSA-N 0 0 425.445 0.630 50 0 biogenic ICAARN COc1cc2ncn(CC(=O)NCCC(=O)NCc3ccncc3)c(=O)c2cc1OC ZINC000020763593 523070475 /nfs/dbraw/zinc/07/04/75/523070475.db2.gz MLXQARHRKYNZFG-UHFFFAOYSA-N 0 0 425.445 0.631 50 0 biogenic ICAARN NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000020767157 527317143 /nfs/dbraw/zinc/31/71/43/527317143.db2.gz IPQFMOKWTLPXAG-UHFFFAOYSA-N 0 0 449.508 0.668 50 0 ICAARN O=C(CCn1nnnc1CN1CCOCC1)N1CCN(CCOc2ccccc2)CC1 ZINC000020776416 526691825 /nfs/dbraw/zinc/69/18/25/526691825.db2.gz 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CCCc1cc(=O)n2nc(N(C)CC(=O)N3CCN(c4ncccn4)CC3)sc2n1 ZINC000020866053 521346117 /nfs/dbraw/zinc/34/61/17/521346117.db2.gz LWMUFDCOOVAISI-UHFFFAOYSA-N 0 0 428.522 0.679 50 0 ICAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)NC(N)=O)n2N)c1 ZINC000020894667 520816933 /nfs/dbraw/zinc/81/69/33/520816933.db2.gz VDFSRUIKNBTRIE-JTQLQIEISA-N 0 0 441.539 0.365 50 0 ICAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)NC(N)=O)n2N)c1 ZINC000020894670 520816407 /nfs/dbraw/zinc/81/64/07/520816407.db2.gz VDFSRUIKNBTRIE-SNVBAGLBSA-N 0 0 441.539 0.365 50 0 ICAARN CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 ZINC000020896764 524077926 /nfs/dbraw/zinc/07/79/26/524077926.db2.gz VXLJWCXTRQXLDM-GFCCVEGCSA-N 0 0 426.495 0.538 50 0 ICAARN CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 ZINC000020896767 524078223 /nfs/dbraw/zinc/07/82/23/524078223.db2.gz VXLJWCXTRQXLDM-LBPRGKRZSA-N 0 0 426.495 0.538 50 0 ICAARN CN(CC(=O)N1CCC2(CC1)OCCO2)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000020943142 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ZINC000021882248 521447439 /nfs/dbraw/zinc/44/74/39/521447439.db2.gz SDTAGWLZQFFWDG-UHFFFAOYSA-N 0 0 449.533 0.614 50 0 ICAARN Cn1nc(C(=O)N2CCOCC2)c2c1CCN(S(=O)(=O)c1cccc3nsnc31)C2 ZINC000021885504 527542403 /nfs/dbraw/zinc/54/24/03/527542403.db2.gz MXYFFMDEIPLHLF-UHFFFAOYSA-N 0 0 448.530 0.644 50 0 ICAARN COc1ccccc1-c1cc(C(=O)N2CCN(c3c(C)n(C)c(=O)n(C)c3=O)CC2)[nH]n1 ZINC000021885866 524266580 /nfs/dbraw/zinc/26/65/80/524266580.db2.gz YRIIAMFOCCQACM-UHFFFAOYSA-N 0 0 438.488 0.754 50 0 ICAARN CCOC(=O)C1CCN(C(=O)C2=C(C)C(=O)OC23CCN(S(C)(=O)=O)CC3)CC1 ZINC000021887480 520555448 /nfs/dbraw/zinc/55/54/48/520555448.db2.gz AAFUFXNMMJYJDC-UHFFFAOYSA-N 0 0 428.507 0.456 50 0 biogenic ICAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N1CCN(c2ccccn2)CC1 ZINC000021888417 521383759 /nfs/dbraw/zinc/38/37/59/521383759.db2.gz XOJNUXXMTGYBED-UHFFFAOYSA-N 0 0 449.533 0.830 50 0 ICAARN CCCCN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000021896688 520340202 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RPBUMLLUEFBLPY-INIZCTEOSA-N 0 0 426.311 0.708 50 0 ICAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCC(F)(F)F)cc1C ZINC000022029200 525563015 /nfs/dbraw/zinc/56/30/15/525563015.db2.gz MAOOXRKCLJWYCO-UHFFFAOYSA-N 0 0 425.385 0.513 50 0 ICAARN CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000022050082 563025463 /nfs/dbraw/zinc/02/54/63/563025463.db2.gz IDEBBPWXWFHKBU-FDKIHUSFSA-N 0 0 437.445 0.859 50 0 biogenic ICAARN CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000022050087 563025452 /nfs/dbraw/zinc/02/54/52/563025452.db2.gz IDEBBPWXWFHKBU-VIYGXFRKSA-N 0 0 437.445 0.859 50 0 biogenic ICAARN CCCNC(=O)CSc1nnc(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)s1 ZINC000022094174 519881970 /nfs/dbraw/zinc/88/19/70/519881970.db2.gz PTWPUSICPBTOEA-VHSXEESVSA-N 0 0 438.622 0.940 50 0 ICAARN CCCNC(=O)CSc1nnc(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)s1 ZINC000022094178 519882021 /nfs/dbraw/zinc/88/20/21/519882021.db2.gz PTWPUSICPBTOEA-NXEZZACHSA-N 0 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Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCc2ccccc2)C1 ZINC000031807773 569457616 /nfs/dbraw/zinc/45/76/16/569457616.db2.gz GEJOYLMGVYIEFI-MRXNPFEDSA-N 0 0 434.518 0.521 50 0 ICAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCCc2ccccc2)C1 ZINC000031807778 569457572 /nfs/dbraw/zinc/45/75/72/569457572.db2.gz GEJOYLMGVYIEFI-INIZCTEOSA-N 0 0 434.518 0.521 50 0 ICAARN COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000031808001 569457589 /nfs/dbraw/zinc/45/75/89/569457589.db2.gz XHYSSNYJLJWCOA-UHFFFAOYSA-N 0 0 436.490 0.097 50 0 ICAARN CN1CCN(Cc2c(C(=O)c3cccc(Br)c3)c(=O)n(C)c(=O)n2C)CC1 ZINC000031808429 569457582 /nfs/dbraw/zinc/45/75/82/569457582.db2.gz RQVPXRICLKRJMZ-UHFFFAOYSA-N 0 0 435.322 0.825 50 0 ICAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(F)cc2)C1 ZINC000031809137 569457652 /nfs/dbraw/zinc/45/76/52/569457652.db2.gz WRXSHFJLZUZSQV-CQSZACIVSA-N 0 0 438.481 0.270 50 0 ICAARN 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Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000031811226 569457878 /nfs/dbraw/zinc/45/78/78/569457878.db2.gz DYDVOMCBBZHTHK-NVXWUHKLSA-N 0 0 446.529 0.966 50 0 ICAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000031811229 569457779 /nfs/dbraw/zinc/45/77/79/569457779.db2.gz DYDVOMCBBZHTHK-DOTOQJQBSA-N 0 0 446.529 0.966 50 0 ICAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000031811325 569457821 /nfs/dbraw/zinc/45/78/21/569457821.db2.gz GJRNUTCCVKAUJZ-UHFFFAOYSA-N 0 0 426.520 0.193 50 0 ICAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1 ZINC000032042770 569458983 /nfs/dbraw/zinc/45/89/83/569458983.db2.gz QFMKGALOKVTQSW-UHFFFAOYSA-N 0 0 427.486 0.784 50 0 ICAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCCN1CCCC1=O ZINC000032070681 569459187 /nfs/dbraw/zinc/45/91/87/569459187.db2.gz MBCCZOFUTIAQSN-HNNXBMFYSA-N 0 0 430.461 0.949 50 0 ICAARN COC(=O)CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)OC ZINC000032094274 569459775 /nfs/dbraw/zinc/45/97/75/569459775.db2.gz QUWRPRZIENJNMQ-HNNXBMFYSA-N 0 0 445.469 0.336 50 0 ICAARN CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 ZINC000032103735 568781060 /nfs/dbraw/zinc/78/10/60/568781060.db2.gz JOVIXSWEBGYOHR-LBPRGKRZSA-N 0 0 430.324 0.906 50 0 ICAARN CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 ZINC000032103737 568781100 /nfs/dbraw/zinc/78/11/00/568781100.db2.gz JOVIXSWEBGYOHR-GFCCVEGCSA-N 0 0 430.324 0.906 50 0 ICAARN COc1ccc(CN2CCN(C(=O)Cn3nnn(-c4cccs4)c3=O)CC2)cc1F ZINC000032233990 569460910 /nfs/dbraw/zinc/46/09/10/569460910.db2.gz SDULKEJXRYDXGY-UHFFFAOYSA-N 0 0 432.481 0.983 50 0 ICAARN CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 ZINC000032438809 569461714 /nfs/dbraw/zinc/46/17/14/569461714.db2.gz FSAQZTSLALGUPY-UHFFFAOYSA-N 0 0 437.540 0.576 50 0 ICAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCOCC3)n2C)cc1OC ZINC000032579296 556541332 /nfs/dbraw/zinc/54/13/32/556541332.db2.gz WGEQTLDWOHBAJV-UHFFFAOYSA-N 0 0 435.506 0.713 50 0 ICAARN Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)NC1=NCCS1 ZINC000032579364 556541536 /nfs/dbraw/zinc/54/15/36/556541536.db2.gz QVUQZOBTJXLASO-UHFFFAOYSA-N 0 0 434.503 0.785 50 0 ICAARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccccc2)n(CC(C)C)c1=S ZINC000032594301 556407777 /nfs/dbraw/zinc/40/77/77/556407777.db2.gz LLLAKLIVOZEXOH-VYIWNADRSA-N 0 0 436.534 0.853 50 0 biogenic ICAARN COc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000032631742 556411777 /nfs/dbraw/zinc/41/17/77/556411777.db2.gz JGFWAYJAFNGKSC-UHFFFAOYSA-N 0 0 425.488 0.617 50 0 ICAARN NC(=O)c1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4ccncc4)c(=O)nc2-3)cc1 ZINC000032641557 556411966 /nfs/dbraw/zinc/41/19/66/556411966.db2.gz MZAJXONEGIVACM-UHFFFAOYSA-N 0 0 430.424 0.691 50 0 ICAARN O=C(Cn1c2cnn([C@@H]3CCS(=O)(=O)C3)c2cnc1=O)N1CCCc2ccccc21 ZINC000032642432 556412294 /nfs/dbraw/zinc/41/22/94/556412294.db2.gz QZXPJGJYOJPVDY-OAHLLOKOSA-N 0 0 427.486 0.932 50 0 ICAARN O=C(Cn1c2cnn([C@H]3CCS(=O)(=O)C3)c2cnc1=O)N1CCCc2ccccc21 ZINC000032642435 556412285 /nfs/dbraw/zinc/41/22/85/556412285.db2.gz QZXPJGJYOJPVDY-HNNXBMFYSA-N 0 0 427.486 0.932 50 0 ICAARN CCOc1ccc(NC(=O)Cn2c3cnn([C@@H]4CCS(=O)(=O)C4)c3cnc2=O)cc1 ZINC000032642438 556412250 /nfs/dbraw/zinc/41/22/50/556412250.db2.gz WYXBOFGCKVGSKK-CQSZACIVSA-N 0 0 431.474 0.990 50 0 ICAARN CCOc1ccc(NC(=O)Cn2c3cnn([C@H]4CCS(=O)(=O)C4)c3cnc2=O)cc1 ZINC000032642442 556412312 /nfs/dbraw/zinc/41/23/12/556412312.db2.gz WYXBOFGCKVGSKK-AWEZNQCLSA-N 0 0 431.474 0.990 50 0 ICAARN COC(=O)c1ccc2c(c1)nc(COC(=O)CN1C(=O)[C@@H]3CCCC[C@H]3C1=O)[nH]c2=O ZINC000032666651 556417643 /nfs/dbraw/zinc/41/76/43/556417643.db2.gz GJFBPKRUIHLNGM-CHWSQXEVSA-N 0 0 427.413 0.928 50 0 ICAARN COC(=O)c1ccc2c(c1)nc(COC(=O)Cn1[nH]c(=O)c3ccccc3c1=O)[nH]c2=O ZINC000032666654 556417957 /nfs/dbraw/zinc/41/79/57/556417957.db2.gz GESGPMGXXFPSAP-UHFFFAOYSA-N 0 0 436.380 0.869 50 0 ICAARN Cn1c(N)c(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c(=O)n(C)c1=O ZINC000032667998 556418277 /nfs/dbraw/zinc/41/82/77/556418277.db2.gz GXSDGHHSZHHECU-UHFFFAOYSA-N 0 0 439.457 0.063 50 0 ICAARN COc1cccc(NC(=O)[C@@H](C)OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000032669955 556413907 /nfs/dbraw/zinc/41/39/07/556413907.db2.gz YFOFYAQLLQSXDQ-TZMCWYRMSA-N 0 0 437.474 0.731 50 0 ICAARN COc1cccc(NC(=O)[C@H](C)OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000032669957 556413900 /nfs/dbraw/zinc/41/39/00/556413900.db2.gz YFOFYAQLLQSXDQ-GXTWGEPZSA-N 0 0 437.474 0.731 50 0 ICAARN COc1cccc(NC(=O)[C@@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000032669959 556413929 /nfs/dbraw/zinc/41/39/29/556413929.db2.gz YFOFYAQLLQSXDQ-OCCSQVGLSA-N 0 0 437.474 0.731 50 0 ICAARN COc1cccc(NC(=O)[C@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000032669962 556413903 /nfs/dbraw/zinc/41/39/03/556413903.db2.gz YFOFYAQLLQSXDQ-JSGCOSHPSA-N 0 0 437.474 0.731 50 0 ICAARN Cc1ccccc1CN1CCN(C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000032676114 556415979 /nfs/dbraw/zinc/41/59/79/556415979.db2.gz OJVGDTRVAIIEPE-UHFFFAOYSA-N 0 0 438.532 0.867 50 0 ICAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c(N2CCCCC2)c(N)n(C)c1=O ZINC000032682545 556427268 /nfs/dbraw/zinc/42/72/68/556427268.db2.gz OAPFRSZAXSGDTF-UHFFFAOYSA-N 0 0 429.477 0.935 50 0 ICAARN CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2cccc(OC)c2)c1=O ZINC000032682561 556427329 /nfs/dbraw/zinc/42/73/29/556427329.db2.gz KKOXTUJGNSDAAE-UHFFFAOYSA-N 0 0 431.493 0.876 50 0 ICAARN CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccccc2OC)c1=O ZINC000032682564 556427308 /nfs/dbraw/zinc/42/73/08/556427308.db2.gz MTCFAXBNNJTFRX-UHFFFAOYSA-N 0 0 431.493 0.876 50 0 ICAARN C[C@@H](NC(=O)c1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000032716914 556506509 /nfs/dbraw/zinc/50/65/09/556506509.db2.gz FBPKFLQGUJJIRF-QGZVFWFLSA-N 0 0 445.545 0.468 50 0 ICAARN C[C@H](NC(=O)c1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000032716916 556506588 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CCOC(=O)CS(=O)(=O)c1cc2c(cc1NC(=O)C(C)C)n(C)c(=O)c(=O)n2C ZINC000033276940 569587393 /nfs/dbraw/zinc/58/73/93/569587393.db2.gz JURZQKLCOHCGFA-UHFFFAOYSA-N 0 0 425.463 0.169 50 0 ICAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2nc(N3CCOCC3)ncc2c1=O ZINC000033277301 521553479 /nfs/dbraw/zinc/55/34/79/521553479.db2.gz MEKKNFBBAPFJOQ-UHFFFAOYSA-N 0 0 438.444 0.839 50 0 ICAARN CCOC(=O)c1cccc(NC(=O)Cn2cnc3nc(N4CCOCC4)ncc3c2=O)c1 ZINC000033277303 557058952 /nfs/dbraw/zinc/05/89/52/557058952.db2.gz BIFAEPDDDQHWAL-UHFFFAOYSA-N 0 0 438.444 0.839 50 0 ICAARN COc1ccc(NC(=O)Cn2cnc3nc(N4CCOCC4)ncc3c2=O)c(OC)c1 ZINC000033277305 524533143 /nfs/dbraw/zinc/53/31/43/524533143.db2.gz SJDSXNAJSBYYKL-UHFFFAOYSA-N 0 0 426.433 0.679 50 0 ICAARN COc1ccc(OC)c(NC(=O)Cn2cnc3nc(N4CCOCC4)ncc3c2=O)c1 ZINC000033277306 557058851 /nfs/dbraw/zinc/05/88/51/557058851.db2.gz LQUYPSRQWJPKBA-UHFFFAOYSA-N 0 0 426.433 0.679 50 0 ICAARN COc1ccc(NC(=O)Cn2cnc3nc(N4CCOCC4)ncc3c2=O)cc1OC ZINC000033277307 557058907 /nfs/dbraw/zinc/05/89/07/557058907.db2.gz BGIUWWZEGYFJOX-UHFFFAOYSA-N 0 0 426.433 0.679 50 0 ICAARN CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)c(=O)n(CCC(=O)N1CCCC1)c(=O)n2C ZINC000033281403 557067412 /nfs/dbraw/zinc/06/74/12/557067412.db2.gz CIIORPVCCQNJSA-CQSZACIVSA-N 0 0 436.534 0.790 50 0 ICAARN CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)c(=O)n(CCC(=O)N1CCCC1)c(=O)n2C ZINC000033281404 557067413 /nfs/dbraw/zinc/06/74/13/557067413.db2.gz CIIORPVCCQNJSA-AWEZNQCLSA-N 0 0 436.534 0.790 50 0 ICAARN Cn1c2ccc(S(=O)(=O)NC(C)(C)C)cc2c(=O)n(CCC(=O)N2CCCC2)c1=O ZINC000033281406 557067411 /nfs/dbraw/zinc/06/74/11/557067411.db2.gz IONUSJDKGLMWPD-UHFFFAOYSA-N 0 0 436.534 0.790 50 0 ICAARN Cn1c2ccc(S(=O)(=O)NC3CCCC3)cc2c(=O)n(CCC(=O)N2CCCC2)c1=O ZINC000033281412 557067445 /nfs/dbraw/zinc/06/74/45/557067445.db2.gz PPKIVZGMAWNFJH-UHFFFAOYSA-N 0 0 448.545 0.934 50 0 ICAARN Cn1c2ccc(S(=O)(=O)N3CCCC3)cc2c(=O)n(CCC(=O)N2CCCC2)c1=O ZINC000033281453 557067435 /nfs/dbraw/zinc/06/74/35/557067435.db2.gz YGVCLVBKUMEJKC-UHFFFAOYSA-N 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/nfs/dbraw/zinc/49/72/12/569497212.db2.gz QHSDDSZFKNPFQI-UHFFFAOYSA-N 0 0 440.522 0.012 50 0 ICAARN COc1cc(NC(=O)C(=O)NCC(=O)NC(C)C)ccc1N1CCCCS1(=O)=O ZINC000040287579 569498225 /nfs/dbraw/zinc/49/82/25/569498225.db2.gz AIFZZECHKZBCII-UHFFFAOYSA-N 0 0 426.495 0.205 50 0 ICAARN COC(=O)[C@H](CCSC)NC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000040288557 569498508 /nfs/dbraw/zinc/49/85/08/569498508.db2.gz NZOWEYJZGDQGIH-AWEZNQCLSA-N 0 0 429.520 0.576 50 0 ICAARN COc1c2c(c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c3c1CN(C)CC3)OCO2 ZINC000040312476 569498876 /nfs/dbraw/zinc/49/88/76/569498876.db2.gz PTPXCJOTTWUOCX-UHFFFAOYSA-N 0 0 447.517 0.713 50 0 biogenic ICAARN CCOC(=O)N1CCN(S(=O)(=O)c2c3c(c(OC)c4c2CCN(C)C4)OCO3)CC1 ZINC000040313177 569498915 /nfs/dbraw/zinc/49/89/15/569498915.db2.gz VZYUOARMXKHNBI-UHFFFAOYSA-N 0 0 441.506 0.875 50 0 biogenic ICAARN COc1c2c(c(S(=O)(=O)NCCCN3CCOCC3)c3c1CN(C)CC3)OCO2 ZINC000040313236 569498947 /nfs/dbraw/zinc/49/89/47/569498947.db2.gz AQDOKLOKHFEXRX-UHFFFAOYSA-N 0 0 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ZINC000041097216 525805359 /nfs/dbraw/zinc/80/53/59/525805359.db2.gz JJCOWAIDFUNWQC-OKILXGFUSA-N 0 0 428.532 0.672 50 0 ICAARN C[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1 ZINC000041097218 525804418 /nfs/dbraw/zinc/80/44/18/525804418.db2.gz JJCOWAIDFUNWQC-ZIAGYGMSSA-N 0 0 428.532 0.672 50 0 ICAARN C[C@H](O)CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1 ZINC000041097220 525780808 /nfs/dbraw/zinc/78/08/08/525780808.db2.gz JJCOWAIDFUNWQC-KBPBESRZSA-N 0 0 428.532 0.672 50 0 ICAARN C[C@@H](O)CNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1 ZINC000041097222 525807313 /nfs/dbraw/zinc/80/73/13/525807313.db2.gz YONUHWJKXQTQST-OKILXGFUSA-N 0 0 444.531 0.797 50 0 ICAARN C[C@@H](O)CNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1 ZINC000041097224 525806334 /nfs/dbraw/zinc/80/63/34/525806334.db2.gz YONUHWJKXQTQST-ZIAGYGMSSA-N 0 0 444.531 0.797 50 0 ICAARN C[C@H](O)CNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1 ZINC000041097226 525782539 /nfs/dbraw/zinc/78/25/39/525782539.db2.gz YONUHWJKXQTQST-KBPBESRZSA-N 0 0 444.531 0.797 50 0 ICAARN COC(=O)[C@H](CCSC)NC(=O)CCNC(=O)CCNC(=O)c1ccc(OC)cc1 ZINC000041157806 523899980 /nfs/dbraw/zinc/89/99/80/523899980.db2.gz YVPKVQPWGMBAKI-INIZCTEOSA-N 0 0 439.534 0.732 50 0 ICAARN COC(=O)[C@@H](CCSC)NC(=O)CCNC(=O)CCNC(=O)c1ccc(OC)cc1 ZINC000041157809 523575001 /nfs/dbraw/zinc/57/50/01/523575001.db2.gz YVPKVQPWGMBAKI-MRXNPFEDSA-N 0 0 439.534 0.732 50 0 ICAARN O=C(CCn1ccc(=O)[nH]c1=O)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 ZINC000042379833 526670931 /nfs/dbraw/zinc/67/09/31/526670931.db2.gz ARXQYBYKAVPUQP-UHFFFAOYSA-N 0 0 439.407 0.366 50 0 ICAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(CCNC(=O)c3ccsc3)CC2)CC1 ZINC000042383089 525160432 /nfs/dbraw/zinc/16/04/32/525160432.db2.gz MGQCJGHALVPJKM-UHFFFAOYSA-N 0 0 428.580 0.294 50 0 ICAARN CCOC(=O)[C@@](O)(CC(=O)OC)[C@H](O)[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1 ZINC000043763060 568843198 /nfs/dbraw/zinc/84/31/98/568843198.db2.gz PHSPTAQOLVJODR-NWUWZPLHSA-N 0 0 426.462 0.942 50 0 ICAARN CCOC(=O)[C@](O)(CC(=O)OC)[C@H](O)[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1 ZINC000043763061 568843148 /nfs/dbraw/zinc/84/31/48/568843148.db2.gz PHSPTAQOLVJODR-VZRKHXGSSA-N 0 0 426.462 0.942 50 0 ICAARN CCOC(=O)[C@@](O)(CC(=O)OC)[C@@H](O)[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1 ZINC000043763062 568843163 /nfs/dbraw/zinc/84/31/63/568843163.db2.gz PHSPTAQOLVJODR-CQSHLORDSA-N 0 0 426.462 0.942 50 0 ICAARN CCOC(=O)[C@](O)(CC(=O)OC)[C@@H](O)[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1 ZINC000043763063 568843153 /nfs/dbraw/zinc/84/31/53/568843153.db2.gz PHSPTAQOLVJODR-DKXUYOFUSA-N 0 0 426.462 0.942 50 0 ICAARN Cc1nnsc1C(=O)N1CCC(CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000043942220 568743891 /nfs/dbraw/zinc/74/38/91/568743891.db2.gz SXNAYNGSIJSFSJ-UHFFFAOYSA-N 0 0 445.501 0.860 50 0 ICAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000044003856 568745532 /nfs/dbraw/zinc/74/55/32/568745532.db2.gz CSVMBKFEAQDNCB-UHFFFAOYSA-N 0 0 429.564 0.871 50 0 ICAARN Cn1nnnc1SCC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 ZINC000044096095 568748084 /nfs/dbraw/zinc/74/80/84/568748084.db2.gz RTOICWFKWAXFFG-UHFFFAOYSA-N 0 0 427.494 0.973 50 0 ICAARN COc1cccc([C@@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)N2CCOCC2)c1 ZINC000044225445 568749936 /nfs/dbraw/zinc/74/99/36/568749936.db2.gz MLDNLHZQWDRKCN-LJQANCHMSA-N 0 0 425.551 0.856 50 0 ICAARN COc1cccc([C@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)N2CCOCC2)c1 ZINC000044225449 568750011 /nfs/dbraw/zinc/75/00/11/568750011.db2.gz MLDNLHZQWDRKCN-IBGZPJMESA-N 0 0 425.551 0.856 50 0 ICAARN COc1ccc(OC)c(-c2cc(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)[nH]n2)c1 ZINC000044226860 568750043 /nfs/dbraw/zinc/75/00/43/568750043.db2.gz HHYLPWGZDRGKLU-UHFFFAOYSA-N 0 0 437.522 0.401 50 0 ICAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000044448127 568752500 /nfs/dbraw/zinc/75/25/00/568752500.db2.gz RXJLPXXCHFEPLO-JKSUJKDBSA-N 0 0 440.456 0.130 50 0 ICAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000044448128 556675458 /nfs/dbraw/zinc/67/54/58/556675458.db2.gz RXJLPXXCHFEPLO-HZPDHXFCSA-N 0 0 440.456 0.130 50 0 ICAARN Cc1cc(C(=O)N2CCN(CCNC(=O)CN3C(=O)c4ccccc4C3=O)CC2)no1 ZINC000044453737 568752867 /nfs/dbraw/zinc/75/28/67/568752867.db2.gz AHJAKONEHOJWFG-UHFFFAOYSA-N 0 0 425.445 0.153 50 0 ICAARN COC(=O)[C@@H](NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)C(C)C ZINC000044893734 557539894 /nfs/dbraw/zinc/53/98/94/557539894.db2.gz SUFLWEAPHYYOMF-NRFANRHFSA-N 0 0 427.505 0.884 50 0 ICAARN O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000044893843 557539964 /nfs/dbraw/zinc/53/99/64/557539964.db2.gz KTDHIGFXZVENEB-CYBMUJFWSA-N 0 0 426.292 0.976 50 0 ICAARN O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N[C@H]1CCS(=O)(=O)C1 ZINC000044893846 557539875 /nfs/dbraw/zinc/53/98/75/557539875.db2.gz KTDHIGFXZVENEB-ZDUSSCGKSA-N 0 0 426.292 0.976 50 0 ICAARN COC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)C23CCCCCC12[C@@H](C(=O)OC)C(=O)[C@H]3C(=O)OC ZINC000045072038 568843350 /nfs/dbraw/zinc/84/33/50/568843350.db2.gz USIGVTIUMFULLV-NBFZWRNFSA-N 0 0 438.429 0.246 50 0 ICAARN CCC(COC(=O)CCN1CC1)(COC(=O)CCN1CC1)COC(=O)CCN1CC1 ZINC000045331717 556686368 /nfs/dbraw/zinc/68/63/68/556686368.db2.gz KDRBAEZRIDZKRP-UHFFFAOYSA-N 0 0 425.526 0.130 50 0 ICAARN COc1ccccc1CNC(=O)c1nc(-c2nn(-c3ccccc3)c(=O)n(C)c2=O)no1 ZINC000045945738 557554308 /nfs/dbraw/zinc/55/43/08/557554308.db2.gz FWQYESGSTDTCDU-UHFFFAOYSA-N 0 0 434.412 0.920 50 0 ICAARN Cn1c(=O)c(-c2noc(C(=O)NCc3ccc4c(c3)OCO4)n2)nn(-c2ccccc2)c1=O ZINC000045945777 557554345 /nfs/dbraw/zinc/55/43/45/557554345.db2.gz LPTYZKUVNZSIAO-UHFFFAOYSA-N 0 0 448.395 0.640 50 0 ICAARN COc1ccc(CNC(=O)c2nc(-c3nn(-c4ccccc4)c(=O)n(C)c3=O)no2)cc1 ZINC000045945788 557554289 /nfs/dbraw/zinc/55/42/89/557554289.db2.gz ODODQKNXPXPPQO-UHFFFAOYSA-N 0 0 434.412 0.920 50 0 ICAARN COc1cccc(CNC(=O)c2nc(-c3nn(-c4ccccc4)c(=O)n(C)c3=O)no2)c1 ZINC000045945812 557554291 /nfs/dbraw/zinc/55/42/91/557554291.db2.gz LRIFBZJCLRVIJH-UHFFFAOYSA-N 0 0 434.412 0.920 50 0 ICAARN CCn1c(=O)c(-c2noc(C(=O)NCc3ccccn3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045945918 557554325 /nfs/dbraw/zinc/55/43/25/557554325.db2.gz YTASAUMTYWEXTO-UHFFFAOYSA-N 0 0 437.391 0.928 50 0 ICAARN CCn1c(=O)c(-c2noc(C(=O)NCc3cccnc3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045945921 557554277 /nfs/dbraw/zinc/55/42/77/557554277.db2.gz AIAKLAVZFVBSIF-UHFFFAOYSA-N 0 0 437.391 0.928 50 0 ICAARN Cc1ccc(CNC(=O)c2nc(-c3nn(-c4ccc(F)cc4)c(=O)n(C)c3=O)no2)o1 ZINC000045946122 557550876 /nfs/dbraw/zinc/55/08/76/557550876.db2.gz JXEPIQKABVIKKU-UHFFFAOYSA-N 0 0 426.364 0.952 50 0 ICAARN Cn1c(=O)c(-c2noc(C(=O)NCCc3ccco3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045946227 557550866 /nfs/dbraw/zinc/55/08/66/557550866.db2.gz QELZOKBNPSCWGD-UHFFFAOYSA-N 0 0 426.364 0.686 50 0 ICAARN CCn1c(=O)c(-c2noc(C(=O)N3CCN(C)CC3)n2)nn(-c2ccc(C)cc2)c1=O ZINC000045946264 557550820 /nfs/dbraw/zinc/55/08/20/557550820.db2.gz QJSNFJFHGMHUJQ-UHFFFAOYSA-N 0 0 425.449 0.160 50 0 ICAARN CCn1c(=O)c(-c2noc(C(=O)NC[C@@H]3CCCO3)n2)nn(-c2ccc(C)cc2)c1=O ZINC000045946277 557550768 /nfs/dbraw/zinc/55/07/68/557550768.db2.gz INGZEWJMSQDEIB-AWEZNQCLSA-N 0 0 426.433 0.681 50 0 ICAARN CCn1c(=O)c(-c2noc(C(=O)NC[C@H]3CCCO3)n2)nn(-c2ccc(C)cc2)c1=O ZINC000045946281 557550786 /nfs/dbraw/zinc/55/07/86/557550786.db2.gz INGZEWJMSQDEIB-CQSZACIVSA-N 0 0 426.433 0.681 50 0 ICAARN CCN1CCN(C(=O)c2nc(-c3nn(-c4ccc(C)cc4)c(=O)n(CC)c3=O)no2)CC1 ZINC000045946320 557550778 /nfs/dbraw/zinc/55/07/78/557550778.db2.gz LZBBFSSOFMHQJO-UHFFFAOYSA-N 0 0 439.476 0.550 50 0 ICAARN CCN1CCN(C(=O)c2nc(-c3nn(-c4ccc(C)cc4)c(=O)n(C)c3=O)no2)CC1 ZINC000045946621 557551053 /nfs/dbraw/zinc/55/10/53/557551053.db2.gz MIBHVQCKTIZRRP-UHFFFAOYSA-N 0 0 425.449 0.067 50 0 ICAARN O=C(Cn1cnc2nc(N3CCOCC3)sc2c1=O)NCc1ccc2c(c1)OCO2 ZINC000045970468 557557902 /nfs/dbraw/zinc/55/79/02/557557902.db2.gz FTPDLIZNPPYQFV-UHFFFAOYSA-N 0 0 429.458 0.735 50 0 ICAARN COC(=O)CCCNC(=O)[C@H](CCSC)NC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000046086672 557035953 /nfs/dbraw/zinc/03/59/53/557035953.db2.gz IVNTVIRKCCKEHQ-INIZCTEOSA-N 0 0 439.534 0.732 50 0 ICAARN COC(=O)CCCNC(=O)[C@@H](CCSC)NC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000046086674 557035919 /nfs/dbraw/zinc/03/59/19/557035919.db2.gz IVNTVIRKCCKEHQ-MRXNPFEDSA-N 0 0 439.534 0.732 50 0 ICAARN COC(=O)CCNC(=O)[C@H](CCSC)NC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000046086767 557035928 /nfs/dbraw/zinc/03/59/28/557035928.db2.gz CFHLAFUGFKHQLW-HNNXBMFYSA-N 0 0 425.507 0.342 50 0 ICAARN COC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000046086769 557035965 /nfs/dbraw/zinc/03/59/65/557035965.db2.gz CFHLAFUGFKHQLW-OAHLLOKOSA-N 0 0 425.507 0.342 50 0 ICAARN Cc1ccccc1C(=O)N(CCCN1CCOCC1)CCS(=O)(=O)N1CCNCC1 ZINC000046140826 556691693 /nfs/dbraw/zinc/69/16/93/556691693.db2.gz PBVKRVJPRUVNEO-UHFFFAOYSA-N 0 0 438.594 0.395 50 0 ICAARN Cc1cccc(C(=O)N(CCCN2CCOCC2)CCS(=O)(=O)N2CCNCC2)c1 ZINC000046140827 556691751 /nfs/dbraw/zinc/69/17/51/556691751.db2.gz UQYLJNCOCWDBOP-UHFFFAOYSA-N 0 0 438.594 0.395 50 0 ICAARN COCCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 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Cc1ccc(-n2nc(N3CCN(C(=O)CCC(=O)N4CCOCC4)CC3)ccc2=O)cc1 ZINC000085654754 568834111 /nfs/dbraw/zinc/83/41/11/568834111.db2.gz CEEJACCZUIMTIB-UHFFFAOYSA-N 0 0 439.516 0.829 50 0 ICAARN COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000085880077 568839143 /nfs/dbraw/zinc/83/91/43/568839143.db2.gz HWCKXEFWCFEREN-SHRVCJEWSA-N 0 0 429.425 0.367 50 0 biogenic ICAARN CC(=O)N[C@H]1[C@@H](O)O[C@](Br)(CO)[C@@](O)(Cl)[C@@]1(O)n1ccc2ccccc21 ZINC000087492957 556289278 /nfs/dbraw/zinc/28/92/78/556289278.db2.gz FKFPYCRMFUHFET-RBZJEDDUSA-N 0 0 449.685 0.151 50 0 ICAARN CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(OC)c1 ZINC000089274516 568909916 /nfs/dbraw/zinc/90/99/16/568909916.db2.gz YELZSKNUKAKNMJ-HNNXBMFYSA-N 0 0 441.531 0.832 50 0 ICAARN CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)c(OC)c1 ZINC000089274519 568909794 /nfs/dbraw/zinc/90/97/94/568909794.db2.gz YELZSKNUKAKNMJ-OAHLLOKOSA-N 0 0 441.531 0.832 50 0 ICAARN 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/nfs/dbraw/zinc/16/24/71/569162471.db2.gz ZZZBNBNIZPBNKU-INIZCTEOSA-N 0 0 430.368 0.870 50 0 ICAARN O=C(CN1CCN(Cc2ccc(Br)cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000089787686 569163266 /nfs/dbraw/zinc/16/32/66/569163266.db2.gz YPHXXBLPTNEHSR-MRXNPFEDSA-N 0 0 430.368 0.870 50 0 ICAARN O=C(CN1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000089787688 569163254 /nfs/dbraw/zinc/16/32/54/569163254.db2.gz YPHXXBLPTNEHSR-INIZCTEOSA-N 0 0 430.368 0.870 50 0 ICAARN NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000089788231 569163366 /nfs/dbraw/zinc/16/33/66/569163366.db2.gz HWDKJSLPVLRKFG-UHFFFAOYSA-N 0 0 437.522 0.459 50 0 ICAARN NC(=O)COc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000089811905 569165097 /nfs/dbraw/zinc/16/50/97/569165097.db2.gz VRNDDZYWMQJDJL-UHFFFAOYSA-N 0 0 435.458 0.530 50 0 ICAARN NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000089829998 569165510 /nfs/dbraw/zinc/16/55/10/569165510.db2.gz SDKIZGIABBKAIP-SFHVURJKSA-N 0 0 438.488 0.941 50 0 ICAARN NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000089829999 569165501 /nfs/dbraw/zinc/16/55/01/569165501.db2.gz SDKIZGIABBKAIP-GOSISDBHSA-N 0 0 438.488 0.941 50 0 ICAARN O=C(NCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1ccccc1 ZINC000089836618 569165266 /nfs/dbraw/zinc/16/52/66/569165266.db2.gz QGCGPRVWMOYGCZ-KRWDZBQOSA-N 0 0 425.507 0.566 50 0 ICAARN O=C(NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ccccc1 ZINC000089836620 569165285 /nfs/dbraw/zinc/16/52/85/569165285.db2.gz QGCGPRVWMOYGCZ-QGZVFWFLSA-N 0 0 425.507 0.566 50 0 ICAARN CC(C)OCCN1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000089887874 569166689 /nfs/dbraw/zinc/16/66/89/569166689.db2.gz ABMSZNPMJVNGBE-UHFFFAOYSA-N 0 0 432.525 0.560 50 0 ICAARN C[C@H](NC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccc2c(c1)CCCC2 ZINC000089905084 569167174 /nfs/dbraw/zinc/16/71/74/569167174.db2.gz DRJRIWQCNCXAAM-DQLDELGASA-N 0 0 435.590 0.518 50 0 ICAARN C[C@H](NC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccc2c(c1)CCCC2 ZINC000089905086 569167141 /nfs/dbraw/zinc/16/71/41/569167141.db2.gz DRJRIWQCNCXAAM-NDXORKPFSA-N 0 0 435.590 0.518 50 0 ICAARN CCN(CC)C(=O)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000089967626 569169141 /nfs/dbraw/zinc/16/91/41/569169141.db2.gz AEJBZBOCQKZVCN-UHFFFAOYSA-N 0 0 432.568 0.038 50 0 ICAARN CCOC(=O)C1(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2C1 ZINC000089978221 569169491 /nfs/dbraw/zinc/16/94/91/569169491.db2.gz RFKKEKGGXSWASY-UHFFFAOYSA-N 0 0 431.470 0.489 50 0 ICAARN O=C(NCCn1nc(-c2cccs2)ccc1=O)c1c[nH]c(=O)n(Cc2ccco2)c1=O ZINC000090423978 568885883 /nfs/dbraw/zinc/88/58/83/568885883.db2.gz HFBNXJRHYQFKNI-UHFFFAOYSA-N 0 0 439.453 0.893 50 0 ICAARN O=C(c1ccco1)N1CCN(C(=O)c2c[nH]c(=O)n(Cc3ccccc3F)c2=O)CC1 ZINC000090423993 568885880 /nfs/dbraw/zinc/88/58/80/568885880.db2.gz GZAHPUHJXAHYGE-UHFFFAOYSA-N 0 0 426.404 0.915 50 0 ICAARN Cc1nc(-c2ccc(N3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)CC3)nc2)no1 ZINC000090558884 568887756 /nfs/dbraw/zinc/88/77/56/568887756.db2.gz KOZOIPROMVTVIZ-UHFFFAOYSA-N 0 0 448.505 0.431 50 0 ICAARN Cn1c(=O)n(CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C(F)(F)F ZINC000090590869 568888527 /nfs/dbraw/zinc/88/85/27/568888527.db2.gz ZKPIUQCVTANWCC-UHFFFAOYSA-N 0 0 447.439 0.815 50 0 ICAARN Cc1nc2n(c(=O)c1C)[C@H](CC(=O)NCCn1nc(-c3ccccn3)n(C)c1=O)CS2 ZINC000090591160 568888479 /nfs/dbraw/zinc/88/84/79/568888479.db2.gz WMIBTQGVEJBMHX-CQSZACIVSA-N 0 0 441.517 0.671 50 0 ICAARN Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)NCCn1nc(-c3ccccn3)n(C)c1=O)CS2 ZINC000090591162 568888498 /nfs/dbraw/zinc/88/84/98/568888498.db2.gz WMIBTQGVEJBMHX-AWEZNQCLSA-N 0 0 441.517 0.671 50 0 ICAARN Cn1cc(-c2cccs2)nc1CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000090606973 568889758 /nfs/dbraw/zinc/88/97/58/568889758.db2.gz KBJOTVWXSNVJBD-UHFFFAOYSA-N 0 0 427.490 0.255 50 0 ICAARN Cc1cc(C)n(-c2cc(NCCNC(=O)COc3ccc(-n4cccn4)nn3)ncn2)n1 ZINC000090607715 568890139 /nfs/dbraw/zinc/89/01/39/568890139.db2.gz SISXTTBUSFIMTD-UHFFFAOYSA-N 0 0 434.464 0.862 50 0 ICAARN 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/nfs/dbraw/zinc/38/13/33/569381333.db2.gz NQGAXTLPXNNZPT-UHFFFAOYSA-N 0 0 432.868 0.552 50 0 ICAARN COc1ccccc1OCCNC(=O)CNC(=O)Cn1c(=O)[nH]c2ccsc2c1=O ZINC000096097178 569381436 /nfs/dbraw/zinc/38/14/36/569381436.db2.gz DBQHROHLLXPQCS-UHFFFAOYSA-N 0 0 432.458 0.071 50 0 ICAARN NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000096097179 569381466 /nfs/dbraw/zinc/38/14/66/569381466.db2.gz WPLZBBBOTBESGW-UHFFFAOYSA-N 0 0 444.579 0.045 50 0 ICAARN O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(-n2cncn2)nn1 ZINC000096097882 569381448 /nfs/dbraw/zinc/38/14/48/569381448.db2.gz XXZGHNDTYWHIOM-UHFFFAOYSA-N 0 0 428.416 0.971 50 0 ICAARN COc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(-n4cncn4)ccc3=O)[nH]n2)c1 ZINC000096097934 569381396 /nfs/dbraw/zinc/38/13/96/569381396.db2.gz QBEZXDVXYKSFIQ-UHFFFAOYSA-N 0 0 436.432 0.661 50 0 ICAARN C[C@@H](C(=O)NCCn1nc(-n2cncn2)ccc1=O)n1nc(-c2cccs2)ccc1=O ZINC000096097947 569381475 /nfs/dbraw/zinc/38/14/75/569381475.db2.gz JIPVBDUWEXFXTI-ZDUSSCGKSA-N 0 0 438.473 0.487 50 0 ICAARN C[C@H](C(=O)NCCn1nc(-n2cncn2)ccc1=O)n1nc(-c2cccs2)ccc1=O ZINC000096097948 569381409 /nfs/dbraw/zinc/38/14/09/569381409.db2.gz JIPVBDUWEXFXTI-CYBMUJFWSA-N 0 0 438.473 0.487 50 0 ICAARN O=C(NCCn1ccnc1-c1ncccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000096099080 569381568 /nfs/dbraw/zinc/38/15/68/569381568.db2.gz IEPTWVNULVACOJ-UHFFFAOYSA-N 0 0 442.501 0.791 50 0 ICAARN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000096099430 569381519 /nfs/dbraw/zinc/38/15/19/569381519.db2.gz AVVYNRSSRFDMNL-UHFFFAOYSA-N 0 0 444.556 0.961 50 0 ICAARN CCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)cc1F ZINC000096099658 569381686 /nfs/dbraw/zinc/38/16/86/569381686.db2.gz RMKCKRTZHAYRDU-UHFFFAOYSA-N 0 0 432.499 0.980 50 0 ICAARN COC(=O)c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)cc1 ZINC000096099660 569381674 /nfs/dbraw/zinc/38/16/74/569381674.db2.gz ORHVLPRFPYZAAM-UHFFFAOYSA-N 0 0 428.492 0.229 50 0 ICAARN Cn1cnnc1S(=O)(=O)C1CCN(S(=O)(=O)CCCOc2ccccc2)CC1 ZINC000096099667 569381761 /nfs/dbraw/zinc/38/17/61/569381761.db2.gz JOGBPWJERFCRTG-UHFFFAOYSA-N 0 0 428.536 0.852 50 0 ICAARN CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096099678 569381815 /nfs/dbraw/zinc/38/18/15/569381815.db2.gz DEFNQRFVHICSQH-UHFFFAOYSA-N 0 0 444.453 0.899 50 0 ICAARN COc1ccc(-c2nn(CCCC(=O)NCC(=O)N3CCOCC3)c(=O)cc2OC)cc1 ZINC000096100891 569381819 /nfs/dbraw/zinc/38/18/19/569381819.db2.gz ZWDGDSRIESJKOB-UHFFFAOYSA-N 0 0 444.488 0.683 50 0 ICAARN Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000096104196 569382177 /nfs/dbraw/zinc/38/21/77/569382177.db2.gz AEBSMRVUWPPDIN-UHFFFAOYSA-N 0 0 440.547 0.616 50 0 ICAARN Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 ZINC000096104211 569382121 /nfs/dbraw/zinc/38/21/21/569382121.db2.gz FYIOINDBQKAHFT-UHFFFAOYSA-N 0 0 430.490 0.380 50 0 ICAARN COC(=O)c1sccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nncn2C)CC1 ZINC000096104223 569382119 /nfs/dbraw/zinc/38/21/19/569382119.db2.gz HJIBDSKRXVLVRA-UHFFFAOYSA-N 0 0 434.521 0.290 50 0 ICAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1 ZINC000096105216 569382262 /nfs/dbraw/zinc/38/22/62/569382262.db2.gz ACISBVDCSBKZEI-UHFFFAOYSA-N 0 0 428.478 0.560 50 0 ICAARN COc1ccc([C@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc1OCC(N)=O ZINC000096114935 569382986 /nfs/dbraw/zinc/38/29/86/569382986.db2.gz IHSUMBQINYOSOB-HNNXBMFYSA-N 0 0 446.456 0.907 50 0 biogenic ICAARN COc1ccc([C@@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc1OCC(N)=O ZINC000096114936 569383036 /nfs/dbraw/zinc/38/30/36/569383036.db2.gz IHSUMBQINYOSOB-OAHLLOKOSA-N 0 0 446.456 0.907 50 0 biogenic ICAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCn1c2ccccc2[nH]c(=O)c1=O ZINC000096115071 569383213 /nfs/dbraw/zinc/38/32/13/569383213.db2.gz GADLPLCJELUBFT-QRTARXTBSA-N 0 0 431.518 0.532 50 0 biogenic ICAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1c2ccccc2[nH]c(=O)c1=O ZINC000096115605 569383357 /nfs/dbraw/zinc/38/33/57/569383357.db2.gz DABHFFHFUQJLQY-INIZCTEOSA-N 0 0 435.440 0.337 50 0 biogenic ICAARN Cn1c2ncn(CC(=O)Nc3ccccc3Cc3nc(C4CC4)no3)c2c(=O)n(C)c1=O ZINC000096119599 569384654 /nfs/dbraw/zinc/38/46/54/569384654.db2.gz ZKRQPXCSQSJNKK-UHFFFAOYSA-N 0 0 435.444 0.924 50 0 ICAARN CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000096121850 563195132 /nfs/dbraw/zinc/19/51/32/563195132.db2.gz GCMDJFFKMBJAIB-UHFFFAOYSA-N 0 0 439.353 0.763 50 0 ICAARN CC(C)CS(=O)(=O)C1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000096121989 569385120 /nfs/dbraw/zinc/38/51/20/569385120.db2.gz VXWYDIYGJIBZFX-UHFFFAOYSA-N 0 0 430.548 0.603 50 0 ICAARN CCCn1c(C(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000096122089 569385132 /nfs/dbraw/zinc/38/51/32/569385132.db2.gz QGDWYOQWNXIMEV-UHFFFAOYSA-N 0 0 448.501 0.481 50 0 ICAARN O=C(NCc1cccnc1N1CCOCC1)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096124024 569385397 /nfs/dbraw/zinc/38/53/97/569385397.db2.gz GKDBZBUBPHYPJC-GOSISDBHSA-N 0 0 449.519 0.822 50 0 ICAARN O=C(NCc1cccnc1N1CCOCC1)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096124025 569385400 /nfs/dbraw/zinc/38/54/00/569385400.db2.gz GKDBZBUBPHYPJC-SFHVURJKSA-N 0 0 449.519 0.822 50 0 ICAARN NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)cc1 ZINC000096124084 569385323 /nfs/dbraw/zinc/38/53/23/569385323.db2.gz ZQDYIDLZCBWFOM-CYBMUJFWSA-N 0 0 428.478 0.560 50 0 ICAARN NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)cc1 ZINC000096124085 569385419 /nfs/dbraw/zinc/38/54/19/569385419.db2.gz ZQDYIDLZCBWFOM-ZDUSSCGKSA-N 0 0 428.478 0.560 50 0 ICAARN NS(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)cc1 ZINC000096124174 569385550 /nfs/dbraw/zinc/38/55/50/569385550.db2.gz CKQXGSTWFIXNCO-UHFFFAOYSA-N 0 0 442.505 0.238 50 0 ICAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)cc1 ZINC000096124234 569385552 /nfs/dbraw/zinc/38/55/52/569385552.db2.gz LMEODFVHKQLNOX-UHFFFAOYSA-N 0 0 442.505 0.270 50 0 ICAARN O=C(CCn1cnc2ccccc2c1=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124273 569385556 /nfs/dbraw/zinc/38/55/56/569385556.db2.gz MUSJHXBUZNATMJ-UHFFFAOYSA-N 0 0 431.460 0.506 50 0 ICAARN O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124282 569385510 /nfs/dbraw/zinc/38/55/10/569385510.db2.gz BNLZIJIRLYETKY-UHFFFAOYSA-N 0 0 427.490 0.570 50 0 ICAARN Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCN(c3ccc(-n4cncn4)nn3)CC1)CS2 ZINC000096124295 569385501 /nfs/dbraw/zinc/38/55/01/569385501.db2.gz PNEXYJMTSJIAKQ-CQSZACIVSA-N 0 0 439.505 0.308 50 0 ICAARN Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCN(c3ccc(-n4cncn4)nn3)CC1)CS2 ZINC000096124296 569385497 /nfs/dbraw/zinc/38/54/97/569385497.db2.gz PNEXYJMTSJIAKQ-AWEZNQCLSA-N 0 0 439.505 0.308 50 0 ICAARN CS(=O)(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)CC1 ZINC000096231211 569387460 /nfs/dbraw/zinc/38/74/60/569387460.db2.gz IGVOPOICLOFSTB-INIZCTEOSA-N 0 0 440.497 0.173 50 0 ICAARN CS(=O)(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)CC1 ZINC000096231212 193938325 /nfs/dbraw/zinc/93/83/25/193938325.db2.gz GOPKQWITRAZOLF-AWEZNQCLSA-N 0 0 428.898 0.254 50 0 ICAARN CS(=O)(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)CC1 ZINC000096232093 569387730 /nfs/dbraw/zinc/38/77/30/569387730.db2.gz SGYXAARYXZNGJJ-HNNXBMFYSA-N 0 0 426.470 0.130 50 0 ICAARN COc1ccccc1OCCN1C[C@H](C(=O)N2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000096232096 569387714 /nfs/dbraw/zinc/38/77/14/569387714.db2.gz HFRSCHYXUGEMMU-OAHLLOKOSA-N 0 0 425.507 0.026 50 0 ICAARN COc1ccccc1OCCN1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000096232097 569387743 /nfs/dbraw/zinc/38/77/43/569387743.db2.gz HFRSCHYXUGEMMU-HNNXBMFYSA-N 0 0 425.507 0.026 50 0 ICAARN O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCN1CCOCC1 ZINC000096232417 569387708 /nfs/dbraw/zinc/38/77/08/569387708.db2.gz RHHUOUDVZQMWIW-IBGZPJMESA-N 0 0 427.505 0.859 50 0 ICAARN O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000096232518 569387851 /nfs/dbraw/zinc/38/78/51/569387851.db2.gz UJWSENDQYMXPPB-PBHICJAKSA-N 0 0 432.502 0.714 50 0 ICAARN O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N[C@H]1CCS(=O)(=O)C1 ZINC000096232519 193939355 /nfs/dbraw/zinc/93/93/55/193939355.db2.gz UJWSENDQYMXPPB-YOEHRIQHSA-N 0 0 432.502 0.714 50 0 ICAARN CS(=O)(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)CC1 ZINC000096232595 193939309 /nfs/dbraw/zinc/93/93/09/193939309.db2.gz FMOMUXMOYCLBBP-HNNXBMFYSA-N 0 0 442.925 0.644 50 0 ICAARN COCCn1c(=O)c2c(ncn2Cc2nc(C(=O)OC)co2)n(-c2ccc(F)cc2)c1=O ZINC000096281349 569389962 /nfs/dbraw/zinc/38/99/62/569389962.db2.gz MRMXIJUWHBBFHG-UHFFFAOYSA-N 0 0 443.391 0.957 50 0 ICAARN COCCN1CCN(C(=O)CN2CC3=C(C2=O)[C@@H](c2ccc(C)cc2)NC(=O)N3C)CC1 ZINC000096281948 569390137 /nfs/dbraw/zinc/39/01/37/569390137.db2.gz WUXHBHFKGWVIFP-OAQYLSRUSA-N 0 0 441.532 0.578 50 0 ICAARN COCCN1CCN(C(=O)CN2CC3=C(C2=O)[C@H](c2ccc(C)cc2)NC(=O)N3C)CC1 ZINC000096281949 569390166 /nfs/dbraw/zinc/39/01/66/569390166.db2.gz WUXHBHFKGWVIFP-NRFANRHFSA-N 0 0 441.532 0.578 50 0 ICAARN O=C1C[C@@H](N2CCN(CCO)CC2)C(=O)N1c1ccc(I)cc1 ZINC000096300831 557194643 /nfs/dbraw/zinc/19/46/43/557194643.db2.gz 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445.545 0.923 50 0 ICAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(C)cc2)CC1 ZINC000096323245 569395157 /nfs/dbraw/zinc/39/51/57/569395157.db2.gz VZSGCUJWLUSAEN-UHFFFAOYSA-N 0 0 433.534 0.608 50 0 ICAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)c1C ZINC000096323291 569395116 /nfs/dbraw/zinc/39/51/16/569395116.db2.gz QLWFCKLBXYTHRS-UHFFFAOYSA-N 0 0 433.534 0.783 50 0 ICAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CCOCC3)ccc21)N1CCOCC1 ZINC000096324126 569395702 /nfs/dbraw/zinc/39/57/02/569395702.db2.gz BBGLUBVCANDZHX-UHFFFAOYSA-N 0 0 441.531 0.333 50 0 ICAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc4c(cc3=O)CCCC4)CC2)cc1 ZINC000096344442 569397028 /nfs/dbraw/zinc/39/70/28/569397028.db2.gz RQBIBODWEFQTPQ-UHFFFAOYSA-N 0 0 430.530 0.964 50 0 ICAARN CNC(=O)CS(=O)(=O)C1CCN(C(=O)CCc2ccc(OC)c(OC)c2OC)CC1 ZINC000096377083 569398198 /nfs/dbraw/zinc/39/81/98/569398198.db2.gz HBGATNFJWFGLFZ-UHFFFAOYSA-N 0 0 442.534 0.797 50 0 ICAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)CC1 ZINC000096394809 556760848 /nfs/dbraw/zinc/76/08/48/556760848.db2.gz MNQVLQZWRSEYER-MRXNPFEDSA-N 0 0 436.476 0.851 50 0 ICAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)CC1 ZINC000096394810 556760861 /nfs/dbraw/zinc/76/08/61/556760861.db2.gz MNQVLQZWRSEYER-INIZCTEOSA-N 0 0 436.476 0.851 50 0 ICAARN O=C(NCc1cccnc1N1CCOCC1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096395941 556760811 /nfs/dbraw/zinc/76/08/11/556760811.db2.gz IBEZLONWAAFYPD-UHFFFAOYSA-N 0 0 449.519 0.822 50 0 ICAARN Cn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1=O ZINC000096396647 569399067 /nfs/dbraw/zinc/39/90/67/569399067.db2.gz VMQIHZRCUHVZCY-UHFFFAOYSA-N 0 0 429.458 0.782 50 0 ICAARN CC(=O)SCCOCCOCCOCCOCCOCCOCCOCCO ZINC000096503446 557201601 /nfs/dbraw/zinc/20/16/01/557201601.db2.gz PGTIAXGQNCASCI-UHFFFAOYSA-N 0 0 428.544 0.375 50 0 ICAARN CCCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(I)cc1 ZINC000096580497 569401696 /nfs/dbraw/zinc/40/16/96/569401696.db2.gz LVGWSJIRROKJAP-UHFFFAOYSA-N 0 0 439.275 0.212 50 0 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/nfs/dbraw/zinc/13/42/19/556134219.db2.gz JRSCRBMXLAADAW-UHFFFAOYSA-N 0 0 431.497 0.922 50 0 ICAARN CCN(CCO)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I ZINC000097403702 556186256 /nfs/dbraw/zinc/18/62/56/556186256.db2.gz DQPSEICMUKYBBG-UHFFFAOYSA-N 0 0 426.276 0.996 50 0 ICAARN COCCNC(=O)CN1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000097475804 556218399 /nfs/dbraw/zinc/21/83/99/556218399.db2.gz DVVPYQXJLVSTLG-UHFFFAOYSA-N 0 0 447.399 0.849 50 0 ICAARN CC(=O)NC(=Cc1ccccc1)C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000097653888 556291191 /nfs/dbraw/zinc/29/11/91/556291191.db2.gz UDCRDQZHIFWOIA-MHWRWJLKSA-N 0 0 442.472 0.688 50 0 ICAARN Cn1c2c(c(=O)n(C)c1=O)[C@@H](CC(=O)N1CCC(O)(c3ccc(Cl)cc3)CC1)C(=O)N2 ZINC000097957212 556977459 /nfs/dbraw/zinc/97/74/59/556977459.db2.gz JXGOBUZRCSHVEW-CQSZACIVSA-N 0 0 446.891 0.673 50 0 ICAARN COc1ccc(CCN2C(=O)C[C@@H](N3CCN(c4ncccn4)CC3)C2=O)cc1OC ZINC000100552057 557264232 /nfs/dbraw/zinc/26/42/32/557264232.db2.gz KTDBZKCJNMZVEU-QGZVFWFLSA-N 0 0 425.489 0.986 50 0 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Cn1cnc(S(=O)(=O)NC2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)c1 ZINC000101068920 557223089 /nfs/dbraw/zinc/22/30/89/557223089.db2.gz HKRJSVGSXKRKCF-KRWDZBQOSA-N 0 0 431.518 0.491 50 0 ICAARN COC(=O)C1=C(C)NC(=O)[C@@]1(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(F)(F)F ZINC000101164932 557284127 /nfs/dbraw/zinc/28/41/27/557284127.db2.gz UULRWQGBOGPFJJ-OAHLLOKOSA-N 0 0 435.380 0.801 50 0 ICAARN COC(=O)C1=C(C)NC(=O)[C@]1(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(F)(F)F ZINC000101164938 557284155 /nfs/dbraw/zinc/28/41/55/557284155.db2.gz UULRWQGBOGPFJJ-HNNXBMFYSA-N 0 0 435.380 0.801 50 0 ICAARN COc1ccccc1NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O ZINC000101169364 557424988 /nfs/dbraw/zinc/42/49/88/557424988.db2.gz ZLYTWGODQDNTCZ-IPMKNSEASA-N 0 0 439.417 0.992 50 0 ICAARN COc1ccccc1NC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O ZINC000101169371 557259198 /nfs/dbraw/zinc/25/91/98/557259198.db2.gz ZLYTWGODQDNTCZ-GBESFXJTSA-N 0 0 439.417 0.992 50 0 ICAARN COc1ccc(NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)cc1 ZINC000101169377 557259220 /nfs/dbraw/zinc/25/92/20/557259220.db2.gz JOJWJTQLNWZNRE-IPMKNSEASA-N 0 0 439.417 0.992 50 0 ICAARN COc1ccc(NC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)cc1 ZINC000101169384 557259246 /nfs/dbraw/zinc/25/92/46/557259246.db2.gz JOJWJTQLNWZNRE-GBESFXJTSA-N 0 0 439.417 0.992 50 0 ICAARN COc1ccc(CC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000101277875 557266419 /nfs/dbraw/zinc/26/64/19/557266419.db2.gz YJJBFNUTQJLGGD-SFHVURJKSA-N 0 0 435.546 0.731 50 0 ICAARN COc1ccc(CC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000101277878 557266346 /nfs/dbraw/zinc/26/63/46/557266346.db2.gz YJJBFNUTQJLGGD-GOSISDBHSA-N 0 0 435.546 0.731 50 0 ICAARN COc1ccccc1CCn1c2c(c(=O)[nH]c1=O)[C@](NC(C)=O)(C(F)(F)F)C(=O)N2 ZINC000101341281 557278718 /nfs/dbraw/zinc/27/87/18/557278718.db2.gz LZNIIFJCWLXUFP-QGZVFWFLSA-N 0 0 426.351 0.634 50 0 ICAARN COc1ccccc1CCn1c2c(c(=O)[nH]c1=O)[C@@](NC(C)=O)(C(F)(F)F)C(=O)N2 ZINC000101341283 557278848 /nfs/dbraw/zinc/27/88/48/557278848.db2.gz LZNIIFJCWLXUFP-KRWDZBQOSA-N 0 0 426.351 0.634 50 0 ICAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000101345255 557279459 /nfs/dbraw/zinc/27/94/59/557279459.db2.gz JGGJDTWSRYPURN-AKDSAVJFSA-N 0 0 441.531 0.983 50 0 ICAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000101345257 557279412 /nfs/dbraw/zinc/27/94/12/557279412.db2.gz JGGJDTWSRYPURN-OUIWWDRTSA-N 0 0 441.531 0.983 50 0 ICAARN CS(=O)(=O)N1CCN(Cc2c([O-])c(C[N@@H+]3CCc4ccccc4C3)coc2=O)CC1 ZINC000101374058 557281167 /nfs/dbraw/zinc/28/11/67/557281167.db2.gz ASOKEPHKHJZRMJ-UHFFFAOYSA-N 0 0 433.530 0.981 50 0 ICAARN O=c1occ(C[NH+]2CCCCC2)c([O-])c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000101374247 557281245 /nfs/dbraw/zinc/28/12/45/557281245.db2.gz FVUUOFSPSIAJAC-QGZVFWFLSA-N 0 0 425.551 0.636 50 0 ICAARN 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JORGYPUKRKTKNO-FFRIZKCHSA-N 0 0 429.558 0.736 50 0 ICAARN C[C@@H](NC(=O)[C@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 ZINC000108840058 557543824 /nfs/dbraw/zinc/54/38/24/557543824.db2.gz VJVAORUJVNJDLM-YCPHGPKFSA-N 0 0 435.502 0.961 50 0 ICAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000109972659 556888780 /nfs/dbraw/zinc/88/87/80/556888780.db2.gz RXJLPXXCHFEPLO-HOTGVXAUSA-N 0 0 440.456 0.130 50 0 ICAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000109972663 556888794 /nfs/dbraw/zinc/88/87/94/556888794.db2.gz RXJLPXXCHFEPLO-CVEARBPZSA-N 0 0 440.456 0.130 50 0 ICAARN CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000138692701 568796074 /nfs/dbraw/zinc/79/60/74/568796074.db2.gz IDEBBPWXWFHKBU-NXNFSMPISA-N 0 0 437.445 0.859 50 0 biogenic ICAARN Nc1c(Br)cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Br ZINC000140500555 557119281 /nfs/dbraw/zinc/11/92/81/557119281.db2.gz 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COCCN(C[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1ccccc1F ZINC000169680486 568991942 /nfs/dbraw/zinc/99/19/42/568991942.db2.gz GMXUPQRIFNTQAM-RBUKOAKNSA-N 0 0 439.528 0.308 50 0 ICAARN COCCN(C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1cccc(F)c1 ZINC000169680588 568991874 /nfs/dbraw/zinc/99/18/74/568991874.db2.gz WWRYMELEDHHUOA-SFTDATJTSA-N 0 0 439.528 0.308 50 0 ICAARN COCCN(C[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1cccc(F)c1 ZINC000169680589 568992091 /nfs/dbraw/zinc/99/20/91/568992091.db2.gz WWRYMELEDHHUOA-LEWJYISDSA-N 0 0 439.528 0.308 50 0 ICAARN COCCN(C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1ccc(C)cc1 ZINC000169680614 568992056 /nfs/dbraw/zinc/99/20/56/568992056.db2.gz PUDLDXAJSXVTDF-VXKWHMMOSA-N 0 0 435.565 0.478 50 0 ICAARN COCCN(C[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1ccc(C)cc1 ZINC000169680615 568991870 /nfs/dbraw/zinc/99/18/70/568991870.db2.gz PUDLDXAJSXVTDF-FCHUYYIVSA-N 0 0 435.565 0.478 50 0 ICAARN COCCN(C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1ccc(F)cc1 ZINC000169680662 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430.280 0.887 50 0 ICAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCn1c2ccccc2[nH]c(=O)c1=O ZINC000169772648 569101566 /nfs/dbraw/zinc/10/15/66/569101566.db2.gz DABHFFHFUQJLQY-MRXNPFEDSA-N 0 0 435.440 0.337 50 0 ICAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCOCC3)C1)O[C@@H](C)C(=O)N2 ZINC000169793917 569108353 /nfs/dbraw/zinc/10/83/53/569108353.db2.gz PBBPHSYCOYEKAY-LSDHHAIUSA-N 0 0 437.518 0.974 50 0 ICAARN CC(C)C(=O)N1CCC(C(=O)N2CCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)CC1 ZINC000170593263 569141115 /nfs/dbraw/zinc/14/11/15/569141115.db2.gz ZYMGTWYBKMWSLO-HXUWFJFHSA-N 0 0 444.580 0.954 50 0 ICAARN CC(C)C(=O)N1CCC(C(=O)N2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)CC1 ZINC000170593264 569141177 /nfs/dbraw/zinc/14/11/77/569141177.db2.gz ZYMGTWYBKMWSLO-FQEVSTJZSA-N 0 0 444.580 0.954 50 0 ICAARN O=C(CN1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1)NCC(=O)N1CCCC1 ZINC000170593420 569141302 /nfs/dbraw/zinc/14/13/02/569141302.db2.gz HPHUPDHUCXXXFF-NRFANRHFSA-N 0 0 441.576 0.534 50 0 ICAARN O=C(CN1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1)NCC(=O)N1CCCC1 ZINC000170593421 569141275 /nfs/dbraw/zinc/14/12/75/569141275.db2.gz HPHUPDHUCXXXFF-OAQYLSRUSA-N 0 0 441.576 0.534 50 0 ICAARN COc1ccc(C(=O)OCCN2CCN(S(=O)(=O)C3CC3)CC2)c(OC)c1OC ZINC000170593820 569141314 /nfs/dbraw/zinc/14/13/14/569141314.db2.gz ILJDAAVHFNVLNG-UHFFFAOYSA-N 0 0 428.507 0.979 50 0 ICAARN O=C(CNC(=O)c1cnc2ccc(Br)cc2c1O)NCCN1CCOCC1 ZINC000170594495 569141317 /nfs/dbraw/zinc/14/13/17/569141317.db2.gz RSTJIYJYSZZNJW-UHFFFAOYSA-N 0 0 437.294 0.881 50 0 ICAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4CCOC[C@@H]4C3)CC2)cc1 ZINC000170594820 569141566 /nfs/dbraw/zinc/14/15/66/569141566.db2.gz WJYKBQJDDHVOFF-IBGZPJMESA-N 0 0 435.546 0.833 50 0 ICAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4CCOC[C@H]4C3)CC2)cc1 ZINC000170594821 569141559 /nfs/dbraw/zinc/14/15/59/569141559.db2.gz WJYKBQJDDHVOFF-LJQANCHMSA-N 0 0 435.546 0.833 50 0 ICAARN COc1ccc(C(=O)N(C)CCN(C)CC(F)F)cc1S(=O)(=O)N1CCOCC1 ZINC000170598417 569142461 /nfs/dbraw/zinc/14/24/61/569142461.db2.gz ZWKMEQDFAUJIBC-UHFFFAOYSA-N 0 0 435.493 0.985 50 0 ICAARN COc1cc(CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC ZINC000170599252 569142601 /nfs/dbraw/zinc/14/26/01/569142601.db2.gz SGMNYRHMVBINMV-UHFFFAOYSA-N 0 0 436.552 0.803 50 0 ICAARN COC(=O)Cn1ncc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1C ZINC000170600597 569142765 /nfs/dbraw/zinc/14/27/65/569142765.db2.gz ALEXJASDMUFHRQ-UHFFFAOYSA-N 0 0 428.492 0.699 50 0 ICAARN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)ccc1Br ZINC000170605994 569143933 /nfs/dbraw/zinc/14/39/33/569143933.db2.gz VCKBIGLFARERPX-VIFPVBQESA-N 0 0 433.284 0.059 50 0 ICAARN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2CC(C(N)=O)=NO2)ccc1Br ZINC000170605995 569143889 /nfs/dbraw/zinc/14/38/89/569143889.db2.gz VCKBIGLFARERPX-SECBINFHSA-N 0 0 433.284 0.059 50 0 ICAARN COC(=O)c1cc(Br)c(CN2CCN(CCN3C(=O)CCC3=O)CC2)n1C ZINC000170607034 569144056 /nfs/dbraw/zinc/14/40/56/569144056.db2.gz AHXKAXUYKCGGLI-UHFFFAOYSA-N 0 0 441.326 0.841 50 0 ICAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC[C@H]3C(=O)NC[C@@H]32)c1 ZINC000170610488 569145035 /nfs/dbraw/zinc/14/50/35/569145035.db2.gz TUIFBISUSSBDFJ-QAPCUYQASA-N 0 0 436.534 0.124 50 0 ICAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC[C@@H]3C(=O)NC[C@@H]32)c1 ZINC000170610489 569144987 /nfs/dbraw/zinc/14/49/87/569144987.db2.gz TUIFBISUSSBDFJ-YJBOKZPZSA-N 0 0 436.534 0.124 50 0 ICAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000170610490 569144981 /nfs/dbraw/zinc/14/49/81/569144981.db2.gz TUIFBISUSSBDFJ-CRAIPNDOSA-N 0 0 436.534 0.124 50 0 ICAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC[C@@H]3C(=O)NC[C@H]32)c1 ZINC000170610491 569145038 /nfs/dbraw/zinc/14/50/38/569145038.db2.gz TUIFBISUSSBDFJ-MAUKXSAKSA-N 0 0 436.534 0.124 50 0 ICAARN O=C1CN(Cc2ccccc2)C(=O)N1CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000170613920 569146142 /nfs/dbraw/zinc/14/61/42/569146142.db2.gz RRMRKPLOWASOQN-UHFFFAOYSA-N 0 0 443.529 0.998 50 0 ICAARN 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CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)N1[C@@H]3C(=O)N(C)C(=O)[C@H]3[C@@H](c3ccccc3)N21 ZINC000238900197 557841955 /nfs/dbraw/zinc/84/19/55/557841955.db2.gz HXVRQUWNLUVFFZ-YDETXVTLSA-N 0 0 430.464 0.982 50 0 ICAARN O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000238914136 569137818 /nfs/dbraw/zinc/13/78/18/569137818.db2.gz SKKJJECWZUEWBS-UHFFFAOYSA-N 0 0 448.473 0.943 50 0 ICAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)c(C)c1 ZINC000238921355 569138008 /nfs/dbraw/zinc/13/80/08/569138008.db2.gz TYEYKPRGMGKLRA-UHFFFAOYSA-N 0 0 441.535 0.762 50 0 ICAARN O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000238950302 568910447 /nfs/dbraw/zinc/91/04/47/568910447.db2.gz XPTKVAPZJGRJEN-GJZGRUSLSA-N 0 0 427.958 0.678 50 0 ICAARN CC1(C)O[C@@H]2[C@@H](O1)[C@@H](C(=O)NCCC(=O)Nc1nccs1)O[C@H]1OC(C)(C)O[C@@H]21 ZINC000239386701 520613047 /nfs/dbraw/zinc/61/30/47/520613047.db2.gz QBKNZJCSBINFFI-BIGJJFBESA-N 0 0 427.479 0.984 50 0 ICAARN CC1(C)O[C@H]2[C@H](O1)O[C@H](C(=O)NCCC(=O)Nc1nccs1)[C@@H]1OC(C)(C)O[C@H]21 ZINC000239386702 568911313 /nfs/dbraw/zinc/91/13/13/568911313.db2.gz QBKNZJCSBINFFI-KDBYPZKRSA-N 0 0 427.479 0.984 50 0 ICAARN CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@H](C(=O)NCCC(=O)Nc3nccs3)[C@@H]2O1 ZINC000239386703 568911396 /nfs/dbraw/zinc/91/13/96/568911396.db2.gz QBKNZJCSBINFFI-VVSAWPALSA-N 0 0 427.479 0.984 50 0 ICAARN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000240786114 568911789 /nfs/dbraw/zinc/91/17/89/568911789.db2.gz IAMPHHKUHAVOJX-KURKYZTESA-N 0 0 441.594 0.957 50 0 ICAARN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000240786115 568912209 /nfs/dbraw/zinc/91/22/09/568912209.db2.gz IAMPHHKUHAVOJX-SQNIBIBYSA-N 0 0 441.594 0.957 50 0 ICAARN COC(=O)c1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)no1 ZINC000241160569 557846022 /nfs/dbraw/zinc/84/60/22/557846022.db2.gz JYILMXPDFOFFIF-UHFFFAOYSA-N 0 0 425.419 0.743 50 0 ICAARN C[C@@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)C[C@@H](C)O1 ZINC000241693832 525043885 /nfs/dbraw/zinc/04/38/85/525043885.db2.gz QICATGXWJUPUTQ-QBPKDAKJSA-N 0 0 428.555 0.091 50 0 ICAARN C[C@@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)C[C@H](C)O1 ZINC000241693833 568912331 /nfs/dbraw/zinc/91/23/31/568912331.db2.gz QICATGXWJUPUTQ-YYIAUSFCSA-N 0 0 428.555 0.091 50 0 ICAARN C[C@H](OC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000241720803 525889743 /nfs/dbraw/zinc/88/97/43/525889743.db2.gz QSLACTRHCMPVEH-MNRXQERYSA-N 0 0 427.504 0.658 50 0 ICAARN C[C@H](OC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000241720804 568912345 /nfs/dbraw/zinc/91/23/45/568912345.db2.gz QSLACTRHCMPVEH-SIMVJXQJSA-N 0 0 427.504 0.658 50 0 ICAARN Nc1c(F)cc(Cl)cc1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000241897187 557847014 /nfs/dbraw/zinc/84/70/14/557847014.db2.gz TWJWFBLFIIKZGU-LLVKDONJSA-N 0 0 439.918 0.336 50 0 ICAARN 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Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000253401924 569264967 /nfs/dbraw/zinc/26/49/67/569264967.db2.gz NTAVOOHYFSIXJM-UHFFFAOYSA-N 0 0 431.540 0.727 50 0 ICAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCc3ccccn3)CC2)cc1 ZINC000253407600 569265475 /nfs/dbraw/zinc/26/54/75/569265475.db2.gz FCCGXWYAINKQPP-UHFFFAOYSA-N 0 0 432.502 0.282 50 0 ICAARN O=C(NCCc1ccccn1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000253407791 569265482 /nfs/dbraw/zinc/26/54/82/569265482.db2.gz KXEAWAFCZCXPGD-UHFFFAOYSA-N 0 0 432.502 0.078 50 0 ICAARN COC(=O)Cc1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)sc1C(=O)OC ZINC000253409046 556696943 /nfs/dbraw/zinc/69/69/43/556696943.db2.gz LICJTSAJKPFIGL-LBPRGKRZSA-N 0 0 446.441 0.725 50 0 biogenic ICAARN COC(=O)c1cn(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc2c(=O)[nH]nc1-2 ZINC000253412762 568903336 /nfs/dbraw/zinc/90/33/36/568903336.db2.gz RXWDKHWSZBTTBI-UHFFFAOYSA-N 0 0 431.474 0.388 50 0 ICAARN CC(=O)N[C@@H]1CCCN(C(=O)Cn2cnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2)C1 ZINC000253415572 569266322 /nfs/dbraw/zinc/26/63/22/569266322.db2.gz LBJKSFVBSLPXKG-CVEARBPZSA-N 0 0 436.513 0.714 50 0 ICAARN CC(=O)N[C@H]1CCCN(C(=O)Cn2cnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2)C1 ZINC000253415573 569266264 /nfs/dbraw/zinc/26/62/64/569266264.db2.gz LBJKSFVBSLPXKG-HOTGVXAUSA-N 0 0 436.513 0.714 50 0 ICAARN CC(=O)N[C@@H]1CCCN(C(=O)Cn2cnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2)C1 ZINC000253415574 569266248 /nfs/dbraw/zinc/26/62/48/569266248.db2.gz LBJKSFVBSLPXKG-HZPDHXFCSA-N 0 0 436.513 0.714 50 0 ICAARN CC(=O)N[C@H]1CCCN(C(=O)Cn2cnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2)C1 ZINC000253415575 569266285 /nfs/dbraw/zinc/26/62/85/569266285.db2.gz LBJKSFVBSLPXKG-JKSUJKDBSA-N 0 0 436.513 0.714 50 0 ICAARN CN(CC(=O)OC(C)(C)C)[C@H]1CN(Cc2nnc3n2c2ccsc2c(=O)n3C)C[C@H]1O ZINC000253415638 569266390 /nfs/dbraw/zinc/26/63/90/569266390.db2.gz NGAFNUOYCYGNIL-UONOGXRCSA-N 0 0 448.549 0.461 50 0 ICAARN CN(CC(=O)OC(C)(C)C)[C@@H]1CN(Cc2nnc3n2c2ccsc2c(=O)n3C)C[C@H]1O ZINC000253415639 569266437 /nfs/dbraw/zinc/26/64/37/569266437.db2.gz NGAFNUOYCYGNIL-ZIAGYGMSSA-N 0 0 448.549 0.461 50 0 ICAARN O=S(=O)(NCCN(CCO)S(=O)(=O)N1CCCCCC1)N1CCCCCC1 ZINC000253417961 569266588 /nfs/dbraw/zinc/26/65/88/569266588.db2.gz VJALYISAJYCNLI-UHFFFAOYSA-N 0 0 426.605 0.112 50 0 ICAARN COc1cc(Br)c(F)cc1S(=O)(=O)NCCNS(=O)(=O)N(C)C ZINC000253421772 556696939 /nfs/dbraw/zinc/69/69/39/556696939.db2.gz SUUARMZZLBUFMZ-UHFFFAOYSA-N 0 0 434.309 0.271 50 0 ICAARN COc1ccccc1S(=O)(=O)NCCN(CCO)S(=O)(=O)c1ccccc1OC ZINC000253421799 569266925 /nfs/dbraw/zinc/26/69/25/569266925.db2.gz XEADEJBQRUEMED-UHFFFAOYSA-N 0 0 444.531 0.665 50 0 ICAARN CN(CCN1CCOCC1)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253428002 569267503 /nfs/dbraw/zinc/26/75/03/569267503.db2.gz OONZWIUARDGONK-INIZCTEOSA-N 0 0 431.942 0.520 50 0 ICAARN CN(CCN1CCOCC1)C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253428003 556697344 /nfs/dbraw/zinc/69/73/44/556697344.db2.gz OONZWIUARDGONK-MRXNPFEDSA-N 0 0 431.942 0.520 50 0 ICAARN O=C([C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCN(C2CC2)C(=O)C1 ZINC000253429365 569267614 /nfs/dbraw/zinc/26/76/14/569267614.db2.gz SXIOWIGZROYGCI-HNNXBMFYSA-N 0 0 427.910 0.563 50 0 ICAARN O=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCN(C2CC2)C(=O)C1 ZINC000253429372 569267654 /nfs/dbraw/zinc/26/76/54/569267654.db2.gz SXIOWIGZROYGCI-OAHLLOKOSA-N 0 0 427.910 0.563 50 0 ICAARN O=C(OCc1ccccc1)N1CCO[C@@H](CS(=O)(=O)NCCN2CCOCC2)C1 ZINC000253430640 569267753 /nfs/dbraw/zinc/26/77/53/569267753.db2.gz RRLPHSWJCQFZCN-GOSISDBHSA-N 0 0 427.523 0.276 50 0 ICAARN O=C(OCc1ccccc1)N1CCO[C@H](CS(=O)(=O)NCCN2CCOCC2)C1 ZINC000253430644 569267762 /nfs/dbraw/zinc/26/77/62/569267762.db2.gz RRLPHSWJCQFZCN-SFHVURJKSA-N 0 0 427.523 0.276 50 0 ICAARN CCN1CCCN(C(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3Cl)CCO2)CC1=O ZINC000253430972 569268554 /nfs/dbraw/zinc/26/85/54/569268554.db2.gz YXZHDBCSINENOP-HNNXBMFYSA-N 0 0 429.926 0.810 50 0 ICAARN CCN1CCCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccccc3Cl)CCO2)CC1=O ZINC000253430976 569268565 /nfs/dbraw/zinc/26/85/65/569268565.db2.gz YXZHDBCSINENOP-OAHLLOKOSA-N 0 0 429.926 0.810 50 0 ICAARN CC[C@H](O)CN1CCN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000253431348 569268492 /nfs/dbraw/zinc/26/84/92/569268492.db2.gz VLAVHBZMVHWEMG-INIZCTEOSA-N 0 0 439.534 0.018 50 0 ICAARN CC[C@@H](O)CN1CCN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000253431356 569268551 /nfs/dbraw/zinc/26/85/51/569268551.db2.gz VLAVHBZMVHWEMG-MRXNPFEDSA-N 0 0 439.534 0.018 50 0 ICAARN CC(C)Cc1ncn(Cc2cc(=O)n(C)c(=O)n2C)c(=O)c1I ZINC000253433237 569269309 /nfs/dbraw/zinc/26/93/09/569269309.db2.gz UJBTVBDHDCFWJA-UHFFFAOYSA-N 0 0 430.246 0.492 50 0 ICAARN CC(=O)Nc1ccc(C(=O)NCCNC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)cc1 ZINC000253471801 569282517 /nfs/dbraw/zinc/28/25/17/569282517.db2.gz FSLZQHFWEBVCDP-UHFFFAOYSA-N 0 0 448.487 0.603 50 0 ICAARN Cn1nc(-c2cnccn2)cc1CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000253472351 569282806 /nfs/dbraw/zinc/28/28/06/569282806.db2.gz LMIFBZVTNXWFRW-UHFFFAOYSA-N 0 0 442.501 0.828 50 0 ICAARN CN1c2ccccc2N(CCNS(=O)(=O)c2ccc(OCC(N)=O)cc2)S1(=O)=O ZINC000253473215 569282790 /nfs/dbraw/zinc/28/27/90/569282790.db2.gz SQWAHXKXYMOJSI-UHFFFAOYSA-N 0 0 440.503 0.030 50 0 ICAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCN2c3ccccc3N(C)S2(=O)=O)cc1 ZINC000253473255 569282904 /nfs/dbraw/zinc/28/29/04/569282904.db2.gz TVZUBJBDEPTEJD-UHFFFAOYSA-N 0 0 438.531 0.868 50 0 ICAARN COc1ccc(S(=O)(=O)NCCN2c3ccccc3N(C)S2(=O)=O)cc1C(N)=O ZINC000253473732 569282927 /nfs/dbraw/zinc/28/29/27/569282927.db2.gz XYRPYAZBUDTRCU-UHFFFAOYSA-N 0 0 440.503 0.274 50 0 ICAARN COc1ccc(Oc2coc3cc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)ccc3c2=O)cc1 ZINC000253497359 569283292 /nfs/dbraw/zinc/28/32/92/569283292.db2.gz AEQYPMPSPOCXMS-GSNCRSPSSA-N 0 0 446.408 0.773 50 0 ICAARN COc1ccc(Oc2coc3cc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)ccc3c2=O)cc1 ZINC000253497360 569283286 /nfs/dbraw/zinc/28/32/86/569283286.db2.gz AEQYPMPSPOCXMS-SSCXBUAASA-N 0 0 446.408 0.773 50 0 ICAARN COC(=O)[C@@H]1O[C@H](Oc2ccc(OC)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253531496 569283953 /nfs/dbraw/zinc/28/39/53/569283953.db2.gz AKLOTXREFYVREJ-KLBVCGFUSA-N 0 0 440.401 0.767 50 0 ICAARN COC(=O)[C@@H]1O[C@@H](Oc2ccc(OC)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253531497 569283954 /nfs/dbraw/zinc/28/39/54/569283954.db2.gz AKLOTXREFYVREJ-YFYQMDMQSA-N 0 0 440.401 0.767 50 0 ICAARN O=C(Nc1nc2c(ncn2[C@@H]2O[C@H](O)[C@H](O)[C@@H]2O)c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000253531786 569283883 /nfs/dbraw/zinc/28/38/83/569283883.db2.gz PZDXLIQNPCKDLH-AHRDLRSYSA-N 0 0 431.449 0.256 50 0 ICAARN O=C(Nc1nc2c(ncn2[C@@H]2O[C@H](O)[C@@H](O)[C@H]2O)c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000253531787 569283943 /nfs/dbraw/zinc/28/39/43/569283943.db2.gz PZDXLIQNPCKDLH-CGRKYRHGSA-N 0 0 431.449 0.256 50 0 ICAARN O=C(Nc1nc2c(ncn2[C@@H]2O[C@H](O)[C@H](O)[C@H]2O)c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000253531788 569283960 /nfs/dbraw/zinc/28/39/60/569283960.db2.gz PZDXLIQNPCKDLH-WEGKKNPDSA-N 0 0 431.449 0.256 50 0 ICAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccccn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253531793 569283969 /nfs/dbraw/zinc/28/39/69/569283969.db2.gz RTISUDKFHVAOHW-BHNDVYRESA-N 0 0 425.390 0.544 50 0 ICAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccccn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253531794 569283961 /nfs/dbraw/zinc/28/39/61/569283961.db2.gz RTISUDKFHVAOHW-UJCHZGTJSA-N 0 0 425.390 0.544 50 0 ICAARN CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@@H]2[C@H](C(=O)OCC)C(=O)[C@@H](C(=O)OCC)[C@]12C ZINC000253591444 568843972 /nfs/dbraw/zinc/84/39/72/568843972.db2.gz QYAJLZLIZRFMEL-JCBFVOHTSA-N 0 0 440.445 0.492 50 0 ICAARN CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OCC)[C@]2(C)[C@@H](C(=O)OCC)C(=O)[C@@H](C(=O)OCC)[C@H]12 ZINC000253591446 568843960 /nfs/dbraw/zinc/84/39/60/568843960.db2.gz QYAJLZLIZRFMEL-KVOGOHCGSA-N 0 0 440.445 0.492 50 0 ICAARN COC(=O)COc1cc([C@@H](CC(N)=O)C2C(=O)NC=C(C(=O)OC)C2=O)ccc1OC ZINC000253623858 569284552 /nfs/dbraw/zinc/28/45/52/569284552.db2.gz RFUNBMOBBCJHPN-LLVKDONJSA-N 0 0 434.401 0.847 50 0 biogenic ICAARN COC(=O)COc1cc([C@H](CC(N)=O)C2C(=O)NC=C(C(=O)OC)C2=O)ccc1OC ZINC000253623859 569284576 /nfs/dbraw/zinc/28/45/76/569284576.db2.gz RFUNBMOBBCJHPN-NSHDSACASA-N 0 0 434.401 0.847 50 0 biogenic ICAARN CC(C)N=c1ccccn1C(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000254705001 569423747 /nfs/dbraw/zinc/42/37/47/569423747.db2.gz WZLXEUNJCGKQKX-UHFFFAOYSA-N 0 0 433.534 0.976 50 0 ICAARN CCN(C(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O ZINC000254750792 568843964 /nfs/dbraw/zinc/84/39/64/568843964.db2.gz CCNRBHFAXXRYLT-INDMIFKZSA-N 0 0 447.437 0.102 50 0 ICAARN CC(=O)OC[C@@H]1O[C@H](n2cc(Br)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000255993300 556812518 /nfs/dbraw/zinc/81/25/18/556812518.db2.gz OVWGEZUVGHETAU-FMSGJZPZSA-N 0 0 449.210 0.035 50 0 ICAARN CC(=O)OC[C@@H]1O[C@H](n2cc(Br)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000255993301 556812452 /nfs/dbraw/zinc/81/24/52/556812452.db2.gz OVWGEZUVGHETAU-SFTQSGBHSA-N 0 0 449.210 0.035 50 0 ICAARN CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000256068936 568663478 /nfs/dbraw/zinc/66/34/78/568663478.db2.gz WLDVPWVIEXLOPP-FQLMCAECSA-N 0 0 432.587 0.329 50 0 ICAARN CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000256068937 568663761 /nfs/dbraw/zinc/66/37/61/568663761.db2.gz WLDVPWVIEXLOPP-NHIYQJMISA-N 0 0 432.587 0.329 50 0 ICAARN COC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)[C@]23CCCCC[C@]12[C@H](C(=O)OC)C(=O)[C@H]3C(=O)OC ZINC000257358480 568843844 /nfs/dbraw/zinc/84/38/44/568843844.db2.gz USIGVTIUMFULLV-GMHAKIAUSA-N 0 0 438.429 0.246 50 0 ICAARN COC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)[C@]23CCCCC[C@]12[C@H](C(=O)OC)C(=O)[C@@H]3C(=O)OC ZINC000257358481 568843837 /nfs/dbraw/zinc/84/38/37/568843837.db2.gz USIGVTIUMFULLV-MAWULKFRSA-N 0 0 438.429 0.246 50 0 ICAARN COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@@]23CCCCC[C@@]12[C@@H](C(=O)OC)C(=O)[C@H]3C(=O)OC ZINC000257358482 568843834 /nfs/dbraw/zinc/84/38/34/568843834.db2.gz USIGVTIUMFULLV-RAEKUVICSA-N 0 0 438.429 0.246 50 0 ICAARN COC(=O)c1cn([C@@H](C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2c(=O)[nH]nc1-2 ZINC000263584743 568758693 /nfs/dbraw/zinc/75/86/93/568758693.db2.gz ABMCQJCBTALKFU-MJBXVCDLSA-N 0 0 437.456 0.831 50 0 biogenic ICAARN COc1c2c(c(S(=O)(=O)N3CCCC[C@@H]3CCO)c3c1C(=O)N(C)CC3)OCO2 ZINC000263585979 568759333 /nfs/dbraw/zinc/75/93/33/568759333.db2.gz ONKSVPNYOAOPQY-GFCCVEGCSA-N 0 0 426.491 0.978 50 0 biogenic ICAARN COc1c2c(c(S(=O)(=O)N3CCCC[C@H]3CCO)c3c1C(=O)N(C)CC3)OCO2 ZINC000263585980 568759329 /nfs/dbraw/zinc/75/93/29/568759329.db2.gz ONKSVPNYOAOPQY-LBPRGKRZSA-N 0 0 426.491 0.978 50 0 biogenic ICAARN COC(=O)c1cn(CCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2c(=O)[nH]nc1-2 ZINC000263586238 568759466 /nfs/dbraw/zinc/75/94/66/568759466.db2.gz RPOBBINXCYSIAH-KGLIPLIRSA-N 0 0 437.456 0.661 50 0 biogenic ICAARN COc1c2c(c(S(=O)(=O)N[C@H](CO)Cc3ccccc3)c3c1C(=O)N(C)CC3)OCO2 ZINC000263586889 568759634 /nfs/dbraw/zinc/75/96/34/568759634.db2.gz ZIAGCIIBDBQTGS-AWEZNQCLSA-N 0 0 448.497 0.934 50 0 biogenic ICAARN COc1c2c(c(S(=O)(=O)N[C@@H](CO)Cc3ccccc3)c3c1C(=O)N(C)CC3)OCO2 ZINC000263586890 568759637 /nfs/dbraw/zinc/75/96/37/568759637.db2.gz ZIAGCIIBDBQTGS-CQSZACIVSA-N 0 0 448.497 0.934 50 0 biogenic ICAARN COC(=O)c1cn(Cc2nc(CS(=O)(=O)c3ccccc3)no2)cc2c(=O)[nH]nc1-2 ZINC000263587108 568760196 /nfs/dbraw/zinc/76/01/96/568760196.db2.gz CECDCAWLYIUQII-UHFFFAOYSA-N 0 0 429.414 0.868 50 0 ICAARN COCCc1noc([C@@H](CCS(C)(=O)=O)n2cc3c(=O)[nH]nc-3c(C(=O)OC)c2)n1 ZINC000263587574 568760641 /nfs/dbraw/zinc/76/06/41/568760641.db2.gz IKPKXBXXKWTKBE-GFCCVEGCSA-N 0 0 439.450 0.059 50 0 ICAARN COCCc1noc([C@H](CCS(C)(=O)=O)n2cc3c(=O)[nH]nc-3c(C(=O)OC)c2)n1 ZINC000263587575 568760566 /nfs/dbraw/zinc/76/05/66/568760566.db2.gz IKPKXBXXKWTKBE-LBPRGKRZSA-N 0 0 439.450 0.059 50 0 ICAARN COC(=O)c1cn(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc2c(=O)[nH]nc1-2 ZINC000263588515 568761058 /nfs/dbraw/zinc/76/10/58/568761058.db2.gz VEEXDEVIWAKDKJ-HNNXBMFYSA-N 0 0 437.456 0.628 50 0 ICAARN COC(=O)c1cn(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc2c(=O)[nH]nc1-2 ZINC000263588516 568761071 /nfs/dbraw/zinc/76/10/71/568761071.db2.gz VEEXDEVIWAKDKJ-OAHLLOKOSA-N 0 0 437.456 0.628 50 0 ICAARN COc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC(N)=O)CC4)c3CO2)cc1 ZINC000263616738 568776901 /nfs/dbraw/zinc/77/69/01/568776901.db2.gz KHHRSZRKCAPRKO-GOSISDBHSA-N 0 0 441.488 0.617 50 0 ICAARN COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC(N)=O)CC4)c3CO2)cc1 ZINC000263616739 568776957 /nfs/dbraw/zinc/77/69/57/568776957.db2.gz KHHRSZRKCAPRKO-SFHVURJKSA-N 0 0 441.488 0.617 50 0 ICAARN CCCNC(=O)CN1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000263619695 568778389 /nfs/dbraw/zinc/77/83/89/568778389.db2.gz ZZWHFCVSDMNKRX-GOSISDBHSA-N 0 0 430.484 0.973 50 0 ICAARN CCCNC(=O)CN1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000263619696 568778409 /nfs/dbraw/zinc/77/84/09/568778409.db2.gz ZZWHFCVSDMNKRX-SFHVURJKSA-N 0 0 430.484 0.973 50 0 ICAARN O=C(NCCS(=O)(=O)CCNC(=O)c1ccnc(C2CC2)n1)c1ccnc(C2CC2)n1 ZINC000328591474 569316973 /nfs/dbraw/zinc/31/69/73/569316973.db2.gz HQKVRRXOJDGJFN-UHFFFAOYSA-N 0 0 444.517 0.596 50 0 ICAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)cc1C ZINC000328592414 569317200 /nfs/dbraw/zinc/31/72/00/569317200.db2.gz LWCUWHYENGNVOL-IEBWSBKVSA-N 0 0 437.562 0.877 50 0 ICAARN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000328592666 569317321 /nfs/dbraw/zinc/31/73/21/569317321.db2.gz YTWYVGMSZTYBOC-UHFFFAOYSA-N 0 0 442.516 0.890 50 0 ICAARN COC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(C)c1 ZINC000328593720 569317461 /nfs/dbraw/zinc/31/74/61/569317461.db2.gz AWDWVXFWRRHPEQ-UHFFFAOYSA-N 0 0 428.492 0.200 50 0 ICAARN Cc1cc(=NC(=O)Cn2c(C)nc3ccc(O)cc3c2=O)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159192 568751146 /nfs/dbraw/zinc/75/11/46/568751146.db2.gz YXLMJNGIVBPSBR-CYBMUJFWSA-N 0 0 431.474 0.336 50 0 ICAARN Cc1cc(=NC(=O)Cn2c(C)nc3ccc(O)cc3c2=O)n([C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159193 568751039 /nfs/dbraw/zinc/75/10/39/568751039.db2.gz YXLMJNGIVBPSBR-ZDUSSCGKSA-N 0 0 431.474 0.336 50 0 ICAARN Cc1c(=O)ccc2c(C)c(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(O)oc1-2 ZINC000334159219 568751165 /nfs/dbraw/zinc/75/11/65/568751165.db2.gz MAMOLTPJAMTBNE-HNNXBMFYSA-N 0 0 434.514 0.941 50 0 ICAARN Cc1c(=O)ccc2c(C)c(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(O)oc1-2 ZINC000334159220 568751172 /nfs/dbraw/zinc/75/11/72/568751172.db2.gz MAMOLTPJAMTBNE-OAHLLOKOSA-N 0 0 434.514 0.941 50 0 ICAARN Cc1cc(=NC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)n([C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159276 526103835 /nfs/dbraw/zinc/10/38/35/526103835.db2.gz QMLCGJJBRJWRLH-AWEZNQCLSA-N 0 0 433.465 0.769 50 0 ICAARN Cc1cc(=NC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159277 526102481 /nfs/dbraw/zinc/10/24/81/526102481.db2.gz QMLCGJJBRJWRLH-CQSZACIVSA-N 0 0 433.465 0.769 50 0 ICAARN COC(=O)Cc1nc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)sc1C(=O)OC ZINC000334160739 556836708 /nfs/dbraw/zinc/83/67/08/556836708.db2.gz LICJTSAJKPFIGL-GFCCVEGCSA-N 0 0 446.441 0.725 50 0 ICAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(S(=O)(=O)C5CC5)CC4)C3)ncn2)n1 ZINC000390827114 569353930 /nfs/dbraw/zinc/35/39/30/569353930.db2.gz UJSWHINNOZVZRG-UHFFFAOYSA-N 0 0 445.549 0.352 50 0 ICAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(C(=O)[C@H]5CCCO5)CC4)C3)ncn2)n1 ZINC000390827611 569353975 /nfs/dbraw/zinc/35/39/75/569353975.db2.gz ZTWCBLIWSHYPRZ-GOSISDBHSA-N 0 0 439.520 0.565 50 0 ICAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(C(=O)[C@@H]5CCCO5)CC4)C3)ncn2)n1 ZINC000390827614 569353978 /nfs/dbraw/zinc/35/39/78/569353978.db2.gz ZTWCBLIWSHYPRZ-SFHVURJKSA-N 0 0 439.520 0.565 50 0 ICAARN O=C(CCNS(=O)(=O)c1ccccc1F)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000390828191 569353971 /nfs/dbraw/zinc/35/39/71/569353971.db2.gz AGJMUMNZYHASGK-CYBMUJFWSA-N 0 0 433.469 0.327 50 0 ICAARN O=C(CCNS(=O)(=O)c1ccccc1F)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000390828193 569353956 /nfs/dbraw/zinc/35/39/56/569353956.db2.gz AGJMUMNZYHASGK-ZDUSSCGKSA-N 0 0 433.469 0.327 50 0 ICAARN CCn1cc(-c2noc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)cn1 ZINC000390828737 569354080 /nfs/dbraw/zinc/35/40/80/569354080.db2.gz BUGNOQJCZCLCAN-UHFFFAOYSA-N 0 0 446.489 0.904 50 0 ICAARN CS(=O)(=O)N1CCN(C(=O)N2CCC(S(=O)(=O)Cc3ccccc3)CC2)C1=O ZINC000390828840 557239176 /nfs/dbraw/zinc/23/91/76/557239176.db2.gz BXQHOKHPJNBFTN-UHFFFAOYSA-N 0 0 429.520 0.883 50 0 ICAARN CS(=O)(=O)c1nccn1-c1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000390829065 569354062 /nfs/dbraw/zinc/35/40/62/569354062.db2.gz WKOCDRIGCFAULB-UHFFFAOYSA-N 0 0 448.526 0.896 50 0 ICAARN O=C(NCCN1C(=O)c2cccnc2C1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000390829314 569354143 /nfs/dbraw/zinc/35/41/43/569354143.db2.gz DMZUIECVRRRFPA-UHFFFAOYSA-N 0 0 444.469 0.129 50 0 ICAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCN2C(=O)c3cccnc3C2=O)cc1 ZINC000390830838 569354241 /nfs/dbraw/zinc/35/42/41/569354241.db2.gz NTSXMFSAHBHOGW-UHFFFAOYSA-N 0 0 428.426 0.310 50 0 ICAARN Cc1nnc2c(N3CC[C@H](NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C3)nccn12 ZINC000390831268 569354278 /nfs/dbraw/zinc/35/42/78/569354278.db2.gz QVJQEYMPLHQODE-HNNXBMFYSA-N 0 0 429.506 0.692 50 0 ICAARN Cc1nnc2c(N3CC[C@@H](NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C3)nccn12 ZINC000390831269 569354248 /nfs/dbraw/zinc/35/42/48/569354248.db2.gz QVJQEYMPLHQODE-OAHLLOKOSA-N 0 0 429.506 0.692 50 0 ICAARN CS(=O)(=O)N1CCC(C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)CC1 ZINC000390831417 569354439 /nfs/dbraw/zinc/35/44/39/569354439.db2.gz RSFNYZIJYMIMRH-UHFFFAOYSA-N 0 0 425.536 0.688 50 0 ICAARN CC(=O)Nc1ncc(S(=O)(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)s1 ZINC000390832001 569354437 /nfs/dbraw/zinc/35/44/37/569354437.db2.gz WOMACSACPMIDLZ-UHFFFAOYSA-N 0 0 436.523 0.795 50 0 ICAARN O=C1c2cccnc2C(=O)N1CCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000390832221 557260018 /nfs/dbraw/zinc/26/00/18/557260018.db2.gz YBYVAZWOLIYQSG-UHFFFAOYSA-N 0 0 426.454 0.491 50 0 ICAARN CCCNC(=O)[C@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)c2ccccc2O1 ZINC000390832839 568909698 /nfs/dbraw/zinc/90/96/98/568909698.db2.gz OBQNIHFWCKZPTJ-RHSMWYFYSA-N 0 0 430.548 0.935 50 0 ICAARN CCCNC(=O)[C@H]1CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)c2ccccc2O1 ZINC000390832840 568909571 /nfs/dbraw/zinc/90/95/71/568909571.db2.gz OBQNIHFWCKZPTJ-WMLDXEAASA-N 0 0 430.548 0.935 50 0 ICAARN COC(=O)[C@@H]1CNC(=O)CN1C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000408515690 557412376 /nfs/dbraw/zinc/41/23/76/557412376.db2.gz ZUPJBBNZJZXEGZ-AOMKIAJQSA-N 0 0 438.440 0.107 50 0 ICAARN COC(=O)[C@@H]1CNC(=O)CN1C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000408515691 557412369 /nfs/dbraw/zinc/41/23/69/557412369.db2.gz ZUPJBBNZJZXEGZ-KSFYIVLOSA-N 0 0 438.440 0.107 50 0 ICAARN COC(=O)[C@H]1CNC(=O)CN1C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000408515692 557412316 /nfs/dbraw/zinc/41/23/16/557412316.db2.gz ZUPJBBNZJZXEGZ-OPAMFIHVSA-N 0 0 438.440 0.107 50 0 ICAARN COC(=O)[C@H]1CNC(=O)CN1C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000408515693 557412361 /nfs/dbraw/zinc/41/23/61/557412361.db2.gz ZUPJBBNZJZXEGZ-ZHRRBRCNSA-N 0 0 438.440 0.107 50 0 ICAARN NS(=O)(=O)CCOCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000408518199 557412219 /nfs/dbraw/zinc/41/22/19/557412219.db2.gz WRXHUCPQQKHDBX-UHFFFAOYSA-N 0 0 445.494 0.661 50 0 ICAARN CN(C)S(=O)(=O)CCNC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000409414931 556641699 /nfs/dbraw/zinc/64/16/99/556641699.db2.gz ZMXHMPLOWVIADY-GOSISDBHSA-N 0 0 444.513 0.894 50 0 ICAARN CN(C)S(=O)(=O)CCNC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000409414939 556641696 /nfs/dbraw/zinc/64/16/96/556641696.db2.gz ZMXHMPLOWVIADY-SFHVURJKSA-N 0 0 444.513 0.894 50 0 ICAARN COc1cc([C@@H](CC(=O)NCCS(N)(=O)=O)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730429 569126071 /nfs/dbraw/zinc/12/60/71/569126071.db2.gz IXMGEPKMSROZIN-GFCCVEGCSA-N 0 0 426.447 0.295 50 0 biogenic ICAARN COc1cc([C@H](CC(=O)NCCS(N)(=O)=O)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730430 569126068 /nfs/dbraw/zinc/12/60/68/569126068.db2.gz IXMGEPKMSROZIN-LBPRGKRZSA-N 0 0 426.447 0.295 50 0 biogenic ICAARN COc1c2c(c(S(=O)(=O)N3CCN(C(=O)C(C)C)CC3)c3c1CN(C)CC3)OCO2 ZINC000524730980 569126310 /nfs/dbraw/zinc/12/63/10/569126310.db2.gz FRLVNQHCAJFLMK-UHFFFAOYSA-N 0 0 439.534 0.901 50 0 biogenic ICAARN COc1c2c(c(S(=O)(=O)N3CCN(C(=O)C4CC4)CC3)c3c1CN(C)CC3)OCO2 ZINC000524731112 569126305 /nfs/dbraw/zinc/12/63/05/569126305.db2.gz KPJHLYQZYYIQOE-UHFFFAOYSA-N 0 0 437.518 0.655 50 0 biogenic ICAARN CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)Cn1cnc2c1ncnc2OC ZINC000524731904 569126570 /nfs/dbraw/zinc/12/65/70/569126570.db2.gz OPNWUIWDZNLWHY-AWEZNQCLSA-N 0 0 440.460 0.552 50 0 biogenic ICAARN CN(C)S(=O)(=O)CCNC(=O)[C@H](c1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524732560 569127418 /nfs/dbraw/zinc/12/74/18/569127418.db2.gz PDTOIJADWXIBCO-KRWDZBQOSA-N 0 0 430.486 0.699 50 0 ICAARN CN(C)S(=O)(=O)CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000524732583 569127536 /nfs/dbraw/zinc/12/75/36/569127536.db2.gz CVNIDYAWGMIHSB-IBGZPJMESA-N 0 0 442.497 0.809 50 0 ICAARN CN(C)S(=O)(=O)CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000524732584 569127495 /nfs/dbraw/zinc/12/74/95/569127495.db2.gz CVNIDYAWGMIHSB-LJQANCHMSA-N 0 0 442.497 0.809 50 0 ICAARN CSCC[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524732662 569127461 /nfs/dbraw/zinc/12/74/61/569127461.db2.gz HECMZGOLFRFQIF-HNNXBMFYSA-N 0 0 440.547 0.500 50 0 ICAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 ZINC000524733087 569126958 /nfs/dbraw/zinc/12/69/58/569126958.db2.gz SCBQAEHKHNSOHL-KRWDZBQOSA-N 0 0 449.533 0.002 50 0 ICAARN O=C(NCCS(=O)(=O)N1CCSCC1)c1c2c(sc1-n1cnnn1)CCC2 ZINC000524733347 569127115 /nfs/dbraw/zinc/12/71/15/569127115.db2.gz JPWVURJBYXBIQA-UHFFFAOYSA-N 0 0 428.565 0.321 50 0 ICAARN Cc1cc(=O)c(OCC(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)cn1C ZINC000524733351 569127134 /nfs/dbraw/zinc/12/71/34/569127134.db2.gz JWEGZABETKPXHJ-UHFFFAOYSA-N 0 0 426.539 0.338 50 0 ICAARN Cc1c(C)[n+]([O-])c([C@@H](c2ccc(F)c(F)c2)c2c([O-])[nH]c(=O)[nH]c2=O)n1CC[NH+](C)C ZINC000524735532 569128150 /nfs/dbraw/zinc/12/81/50/569128150.db2.gz IBMFTWDONGWULU-HNNXBMFYSA-N 0 0 435.431 0.692 50 0 ICAARN Cc1c(C)[n+]([O-])c([C@H](c2ccc(F)c(F)c2)c2c([O-])[nH]c(=O)[nH]c2=O)n1CC[NH+](C)C ZINC000524735533 569128143 /nfs/dbraw/zinc/12/81/43/569128143.db2.gz IBMFTWDONGWULU-OAHLLOKOSA-N 0 0 435.431 0.692 50 0 ICAARN COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000575414561 568862216 /nfs/dbraw/zinc/86/22/16/568862216.db2.gz XGBFCZTWBABVJH-CYBMUJFWSA-N 0 0 432.462 0.477 50 0 ICAARN COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000575414575 568862473 /nfs/dbraw/zinc/86/24/73/568862473.db2.gz XGBFCZTWBABVJH-ZDUSSCGKSA-N 0 0 432.462 0.477 50 0 ICAARN COc1ccc(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)cc1C(N)=O ZINC000575605381 568877989 /nfs/dbraw/zinc/87/79/89/568877989.db2.gz ABGXQNPHLZUKMT-UHFFFAOYSA-N 0 0 449.537 0.514 50 0 ICAARN CN(C)c1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(N2CCOCC2)n1 ZINC000575605512 568878050 /nfs/dbraw/zinc/87/80/50/568878050.db2.gz KMGVSTNHNTZVFI-AWEZNQCLSA-N 0 0 443.483 0.583 50 0 ICAARN CN(C)c1nc(CNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)nc(N(C)C)n1 ZINC000575605518 568877983 /nfs/dbraw/zinc/87/79/83/568877983.db2.gz BMDLKUAPTLQRAS-UHFFFAOYSA-N 0 0 431.522 0.317 50 0 ICAARN CN(C)c1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(N2CCOCC2)n1 ZINC000575605520 568877990 /nfs/dbraw/zinc/87/79/90/568877990.db2.gz KMGVSTNHNTZVFI-CQSZACIVSA-N 0 0 443.483 0.583 50 0 ICAARN Cn1c(=O)n(C2CCN(C(=O)Cn3cnc(C4CC4)cc3=O)CC2)nc1C(F)(F)F ZINC000575606571 568877993 /nfs/dbraw/zinc/87/79/93/568877993.db2.gz MZUHDXVJTVTSFP-UHFFFAOYSA-N 0 0 426.399 0.898 50 0 ICAARN COc1nc(CNS(=O)(=O)c2ccc(-n3cccn3)cc2)nc(N2CCOCC2)n1 ZINC000575606811 568878225 /nfs/dbraw/zinc/87/82/25/568878225.db2.gz LUVDFJBVKGFONK-UHFFFAOYSA-N 0 0 431.478 0.381 50 0 ICAARN COc1ccc(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCOCC3)n2)cc1Cl ZINC000575606830 568878238 /nfs/dbraw/zinc/87/82/38/568878238.db2.gz LVEMESQWCLAINA-UHFFFAOYSA-N 0 0 442.929 0.915 50 0 ICAARN COc1nc(CNC(=O)CCn2cnc3ccccc3c2=O)nc(N2CCOCC2)n1 ZINC000575607969 568878450 /nfs/dbraw/zinc/87/84/50/568878450.db2.gz RMHKNZKCSBZESJ-UHFFFAOYSA-N 0 0 425.449 0.133 50 0 ICAARN COc1nc(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)nc(N2CCOCC2)n1 ZINC000575608519 568878405 /nfs/dbraw/zinc/87/84/05/568878405.db2.gz UZOWNVHDHQEUEL-UHFFFAOYSA-N 0 0 443.432 0.643 50 0 ICAARN CC(=O)Nc1ncc(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)s1 ZINC000575608629 568878431 /nfs/dbraw/zinc/87/84/31/568878431.db2.gz WETXEHWXDSXBLV-UHFFFAOYSA-N 0 0 440.555 0.821 50 0 ICAARN COc1nc(CNS(=O)(=O)c2ccccc2Br)nc(N2CCOCC2)n1 ZINC000575608786 568878726 /nfs/dbraw/zinc/87/87/26/568878726.db2.gz YHQWZFXRLDMDGV-UHFFFAOYSA-N 0 0 444.311 0.958 50 0 ICAARN CC(=O)Nc1ccc(C(=O)NCCNC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)cc1 ZINC000575610127 568878771 /nfs/dbraw/zinc/87/87/71/568878771.db2.gz SUZGINNLINFWJO-UHFFFAOYSA-N 0 0 448.487 0.603 50 0 ICAARN C[C@@H](C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1)n1nc(-c2ccco2)ccc1=O ZINC000575610668 568878845 /nfs/dbraw/zinc/87/88/45/568878845.db2.gz MPVWNUCNCMQCLX-HNNXBMFYSA-N 0 0 447.459 0.784 50 0 ICAARN C[C@H](C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1)n1nc(-c2ccco2)ccc1=O ZINC000575610671 568878936 /nfs/dbraw/zinc/87/89/36/568878936.db2.gz MPVWNUCNCMQCLX-OAHLLOKOSA-N 0 0 447.459 0.784 50 0 ICAARN O=C(NCCn1nc(-c2cccs2)ccc1=O)C1CN(c2cc(-n3cncn3)ncn2)C1 ZINC000575610753 568879287 /nfs/dbraw/zinc/87/92/87/568879287.db2.gz XXXQSVWRFAJASY-UHFFFAOYSA-N 0 0 449.500 0.595 50 0 ICAARN O=C(NCCn1ccnc1-c1cnccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000575610884 568879083 /nfs/dbraw/zinc/87/90/83/568879083.db2.gz ZNOXVNWDRAHWFT-UHFFFAOYSA-N 0 0 442.501 0.791 50 0 ICAARN O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000575610967 568879099 /nfs/dbraw/zinc/87/90/99/568879099.db2.gz QLIJFNZQNOMHDB-UHFFFAOYSA-N 0 0 443.471 0.630 50 0 ICAARN O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000575611010 568879017 /nfs/dbraw/zinc/87/90/17/568879017.db2.gz RMSRPLOQWDYREM-HNNXBMFYSA-N 0 0 436.451 0.898 50 0 ICAARN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000575611011 568878955 /nfs/dbraw/zinc/87/89/55/568878955.db2.gz RMSRPLOQWDYREM-OAHLLOKOSA-N 0 0 436.451 0.898 50 0 ICAARN CN1c2ccc(F)cc2N(CCNC(=O)C2CCN(S(C)(=O)=O)CC2)S1(=O)=O ZINC000575612064 568879441 /nfs/dbraw/zinc/87/94/41/568879441.db2.gz JYIKKERQYDBDML-UHFFFAOYSA-N 0 0 434.515 0.115 50 0 ICAARN CC(=O)Nc1ncc(S(=O)(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)s1 ZINC000575612699 568879359 /nfs/dbraw/zinc/87/93/59/568879359.db2.gz NVHQRHPCUBXMMQ-UHFFFAOYSA-N 0 0 449.511 0.720 50 0 ICAARN Cn1c(=O)n(C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)nc1C(F)(F)F ZINC000575614684 568881070 /nfs/dbraw/zinc/88/10/70/568881070.db2.gz AZHBJSQVYXHZDN-UHFFFAOYSA-N 0 0 439.460 0.436 50 0 ICAARN CN(C)S(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000575614876 568881073 /nfs/dbraw/zinc/88/10/73/568881073.db2.gz BGJQKUVORVUPNC-UHFFFAOYSA-N 0 0 426.495 0.031 50 0 ICAARN Cc1nnc2c(N3CCC(NS(=O)(=O)c4ccc(OCC(N)=O)cc4)CC3)nccn12 ZINC000575615282 568881286 /nfs/dbraw/zinc/88/12/86/568881286.db2.gz CSOKMLZCKCAUPN-UHFFFAOYSA-N 0 0 445.505 0.244 50 0 ICAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000575615387 568881278 /nfs/dbraw/zinc/88/12/78/568881278.db2.gz HCXCOOWKLQOGLY-UHFFFAOYSA-N 0 0 432.568 0.185 50 0 ICAARN COC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000575615436 568881350 /nfs/dbraw/zinc/88/13/50/568881350.db2.gz HUTKSTSQCKAVPN-UHFFFAOYSA-N 0 0 434.540 0.662 50 0 ICAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000575615677 568881251 /nfs/dbraw/zinc/88/12/51/568881251.db2.gz GAQHLMHGWRRWKV-HNNXBMFYSA-N 0 0 446.547 0.412 50 0 ICAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000575615679 568881265 /nfs/dbraw/zinc/88/12/65/568881265.db2.gz GAQHLMHGWRRWKV-OAHLLOKOSA-N 0 0 446.547 0.412 50 0 ICAARN CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000575616006 568881474 /nfs/dbraw/zinc/88/14/74/568881474.db2.gz NFSJGCHVJMYTBC-UHFFFAOYSA-N 0 0 427.552 0.669 50 0 ICAARN COC(=O)c1sccc1S(=O)(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 ZINC000575616634 568881457 /nfs/dbraw/zinc/88/14/57/568881457.db2.gz VAAILJBKBDIPBE-UHFFFAOYSA-N 0 0 425.554 0.331 50 0 ICAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000575616734 568881653 /nfs/dbraw/zinc/88/16/53/568881653.db2.gz YMZFCVWTJNFBSB-UHFFFAOYSA-N 0 0 449.551 0.279 50 0 ICAARN Cc1nnc2c(N3CCC(NS(=O)(=O)c4ccc5oc(=O)n(C)c5c4)CC3)nccn12 ZINC000575617249 568881645 /nfs/dbraw/zinc/88/16/45/568881645.db2.gz NBLHXAYLTCDLAP-UHFFFAOYSA-N 0 0 443.489 0.825 50 0 ICAARN COC(=O)Nc1ccc(S(=O)(=O)NC2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000575618083 568881980 /nfs/dbraw/zinc/88/19/80/568881980.db2.gz YXJNBZVJBLWEPN-HNNXBMFYSA-N 0 0 431.536 0.795 50 0 ICAARN COC(=O)Nc1ccc(S(=O)(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000575618090 568881938 /nfs/dbraw/zinc/88/19/38/568881938.db2.gz YXJNBZVJBLWEPN-OAHLLOKOSA-N 0 0 431.536 0.795 50 0 ICAARN O=C(NCc1cn(-c2cccnc2)nn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000575618401 568882052 /nfs/dbraw/zinc/88/20/52/568882052.db2.gz MSFILUHICBUADD-UHFFFAOYSA-N 0 0 428.474 0.613 50 0 ICAARN Cn1cc(-c2nccnc2CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 ZINC000575618680 568882278 /nfs/dbraw/zinc/88/22/78/568882278.db2.gz FFWTWMPMIGOJKM-UHFFFAOYSA-N 0 0 442.501 0.828 50 0 ICAARN Cc1nc2c(cc1C(=O)N1CCN(c3ccc(C4CC4)nn3)CC1)c(=O)n(C)c(=O)n2C ZINC000575619879 568883003 /nfs/dbraw/zinc/88/30/03/568883003.db2.gz MYTACGWRVSEBEF-UHFFFAOYSA-N 0 0 435.488 0.570 50 0 ICAARN O=C1CCCC(=O)N1CCS(=O)(=O)N1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000585147174 557103853 /nfs/dbraw/zinc/10/38/53/557103853.db2.gz UDVPFHVMYDTRQI-GFCCVEGCSA-N 0 0 447.311 0.561 50 0 ICAARN O=C1CCCC(=O)N1CCS(=O)(=O)N1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC000585147175 557103859 /nfs/dbraw/zinc/10/38/59/557103859.db2.gz UDVPFHVMYDTRQI-LBPRGKRZSA-N 0 0 447.311 0.561 50 0 ICAARN O=C(Cn1cnc(C2CC2)cc1=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O ZINC000585147701 557106446 /nfs/dbraw/zinc/10/64/46/557106446.db2.gz SHKIPDUYVXTHDP-UHFFFAOYSA-N 0 0 429.502 0.971 50 0 ICAARN O=C(Cn1cnc(C2CC2)cc1=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000585148452 557109131 /nfs/dbraw/zinc/10/91/31/557109131.db2.gz CTVSYORKKZAMJJ-UHFFFAOYSA-N 0 0 441.410 0.938 50 0 ICAARN COCc1cn([C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)nn1 ZINC000585149654 568627353 /nfs/dbraw/zinc/62/73/53/568627353.db2.gz HFSYPWFMOZLESQ-KRWDZBQOSA-N 0 0 435.506 0.533 50 0 ICAARN COCc1cn([C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)nn1 ZINC000585149655 568627432 /nfs/dbraw/zinc/62/74/32/568627432.db2.gz HFSYPWFMOZLESQ-QGZVFWFLSA-N 0 0 435.506 0.533 50 0 ICAARN O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)NCCn1nc2c(cc1=O)CCCC2 ZINC000585149968 557110280 /nfs/dbraw/zinc/11/02/80/557110280.db2.gz BUPZCSUKEDBNFP-UHFFFAOYSA-N 0 0 449.467 0.891 50 0 ICAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2cccnc2)C(=O)C1 ZINC000585150154 557109942 /nfs/dbraw/zinc/10/99/42/557109942.db2.gz IBPKYAJKBNGSHC-UHFFFAOYSA-N 0 0 430.486 0.592 50 0 ICAARN CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 ZINC000585150306 557109982 /nfs/dbraw/zinc/10/99/82/557109982.db2.gz LSJHEZSZLCWLCD-KRWDZBQOSA-N 0 0 445.545 0.851 50 0 ICAARN CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 ZINC000585150308 557109972 /nfs/dbraw/zinc/10/99/72/557109972.db2.gz LSJHEZSZLCWLCD-QGZVFWFLSA-N 0 0 445.545 0.851 50 0 ICAARN O=C(NCCn1nc(-n2cccn2)ccc1=O)C1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000585150552 568627799 /nfs/dbraw/zinc/62/77/99/568627799.db2.gz PUOAGCHDWBPLFO-UHFFFAOYSA-N 0 0 434.504 0.741 50 0 ICAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCn1c2ccccc2[nH]c(=O)c1=O ZINC000604419030 557251161 /nfs/dbraw/zinc/25/11/61/557251161.db2.gz MUHSLHFGMOTCKX-IGMHASDESA-N 0 0 434.452 0.916 50 0 ICAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCn1c2ccccc2[nH]c(=O)c1=O ZINC000604419031 557251228 /nfs/dbraw/zinc/25/12/28/557251228.db2.gz MUHSLHFGMOTCKX-IJRIMCCZSA-N 0 0 434.452 0.916 50 0 ICAARN Cc1cccc(N(CC(=O)NCCn2[nH]c(=O)c3ccccc3c2=O)S(C)(=O)=O)c1 ZINC000670444263 569451986 /nfs/dbraw/zinc/45/19/86/569451986.db2.gz WUSJJMXBEHVXAM-UHFFFAOYSA-N 0 0 430.486 0.993 50 0 ICAARN CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc3sc4c(c3c2)CCNC4=O)C[C@@H]1O ZINC001529158346 1071324804 /nfs/dbraw/zinc/32/48/04/1071324804.db2.gz ACMVMNKDYUAIQA-WFASDCNBSA-N 0 0 437.543 0.512 50 0 ICAARN CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)CCSc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001529191720 1071325369 /nfs/dbraw/zinc/32/53/69/1071325369.db2.gz DBSMMFHNXISXOW-DZGCQCFKSA-N 0 0 430.548 0.651 50 0 ICAARN